Benzene

Formula: C₆H₆
Molecular weight: 78.1118
IUPAC Standard InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H
IUPAC Standard InChIKey: UHOVQNZJYSORNB-UHFFFAOYSA-N
CAS Registry Number: 71-43-2
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Isotopologues:
- Benzene-D6
Other names: [6]Annulene; Benzol; Benzole; Coal naphtha; Cyclohexatriene; Phenyl hydride; Pyrobenzol; Pyrobenzole; Benzolene; Bicarburet of hydrogen; Carbon oil; Mineral naphtha; Motor benzol; Benzeen; Benzen; Benzin; Benzine; Benzolo; Fenzen; NCI-C55276; Phene; Rcra waste number U019; UN 1114; NSC 67315; 1,3,5-Cyclohexatriene
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
- Reaction thermochemistry data: reactions 51 to 99
- Fluid Properties
Data at other public NIST sites:
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	19.8 ± 0.2	kcal/mol	Review	Roux, Temprado, et al., 2008	There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δ_fH°_gas	19.8	kcal/mol	N/A	Good and Smith, 1969	Value computed using Δ_fH_liquid° value of 49.0±0.5 kj/mol from Good and Smith, 1969 and Δ_vapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB
Δ_fH°_gas	19.82 ± 0.12	kcal/mol	Ccb	Prosen, Gilmont, et al., 1945	Hf by Prosen, Johnson, et al., 1946; ALS
Δ_fH°_gas	19.1	kcal/mol	N/A	Landrieu, Baylocq, et al., 1929	Value computed using Δ_fH_liquid° value of 46.0 kj/mol from Landrieu, Baylocq, et al., 1929 and Δ_vapH° value of 33.9 kj/mol from Prosen, Gilmont, et al., 1945.; DRB

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
7.952	50.	Thermodynamics Research Center, 1997	GT
8.391	100.
10.02	150.
12.71	200.
17.82	273.15
19.70	298.15
19.84	300.
27.132	400.
33.305	500.
38.262	600.
42.251	700.
45.519	800.
48.236	900.
50.528	1000.
52.476	1100.
54.140	1200.
55.566	1300.
56.800	1400.
57.866	1500.
59.969	1750.
61.487	2000.
62.608	2250.
63.456	2500.
64.109	2750.
64.620	3000.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
22.30 ± 0.01	333.15	Todd S.S., 1978	Please also see Montgomery J.B., 1942, Pitzer K.S., 1943, Scott D.W., 1947.; GT
22.90	341.60
23.42 ± 0.01	348.15
24.85 ± 0.01	368.15
25.100	370.
25.041	371.20
26.00 ± 0.30	388.
26.501	390.
26.40 ± 0.30	393.
27.230	402.30
27.32 ± 0.02	403.15
27.600	410.
28.10 ± 0.30	417.
28.40 ± 0.30	428.
29.491	436.15
29.62 ± 0.02	438.15
30.30 ± 0.30	463.
31.649	471.10
31.77 ± 0.02	473.15
31.40 ± 0.30	481.
33.33 ± 0.02	500.15
34.80 ± 0.02	527.15

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	12. ± 0.2	kcal/mol	Review	Roux, Temprado, et al., 2008	There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB
Δ_fH°_liquid	11.70 ± 0.13	kcal/mol	Ccb	Good and Smith, 1969	ALS
Δ_fH°_liquid	11.72 ± 0.12	kcal/mol	Ccb	Prosen, Gilmont, et al., 1945	Hf by Prosen, Johnson, et al., 1946; ALS
Δ_fH°_liquid	11.0	kcal/mol	Ccb	Landrieu, Baylocq, et al., 1929	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-781. ± 4.	kcal/mol	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	41.410	cal/mol*K	N/A	Oliver, Eaton, et al., 1948	DH
S°_liquid	41.90	cal/mol*K	N/A	Huffman, Parks, et al., 1930	Extrapolation below 90 K, 47.49 J/mol*K.; DH
Quantity	Value	Units	Method	Reference	Comment
S°_{solid,1 bar}	10.89	cal/mol*K	N/A	Ahlberg, Blanchard, et al., 1937	DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
32.431	298.15	Grolier, Roux-Desgranges, et al., 1993	DH
32.48	298.5	Czarnota, 1991	p = 0.1 MPa. Cp values given for the pressure range 0.1 to 68.1 MPa.; DH
32.414	298.15	Lainez, Rodrigo, et al., 1989	DH
32.177	298.15	Shiohama, Ogawa, et al., 1988	DH
32.445	298.15	Grolier, Roux-Desgranges, et al., 1987	DH
32.173	293.15	Kalali, Kohler, et al., 1987	T = 293.15, 313.15 K.; DH
32.4348	298.15	Tanaka, 1987	DH
33.44	322.05	Naziev, Bashirov, et al., 1986	T = 322.05, 351.15 K. p = 0.1 MPa. Unsmoothed experimental datum given as 1.7915 kJ/kg*K.; DH
32.84	303.15	Reddy, 1986	T = 303.15, 313.15 K.; DH
32.519	298.15	Ogawa and Murakami, 1985	DH
32.4374	298.15	Tanaka, 1985	DH
32.562	298.15	Gorbunova, Simonov, et al., 1983	T = 283.78 to 348.47 K. Cp = 1.3943 - 5.857x10-4T + 5.89x10-6T2 kJ/kg*K. Cp value calculated from equation.; DH
32.62	300.	Gorbunova, Grigoriev, et al., 1982	T = 280 to 353 K. Data also given by equation.; DH
32.43	298.15	Grolier, Inglese, et al., 1982	T = 298.15 K.; DH
32.443	298.15	Tanaka, 1982	Temperatures 293.15, 298.15, 303.15 K.; DH
32.409	298.15	Wilhelm, Faradjzadeh, et al., 1982	DH
31.93	293.15	Atalla, El-Sharkawy, et al., 1981	DH
32.481	298.15	Vesely, Zabransky, et al., 1979	DH
32.412	298.15	Grolier, Wilhelm, et al., 1978	DH
32.481	298.15	Vesely, Svoboda, et al., 1977	T = 298 to 318 K.; DH
32.409	298.15	Wilhelm, Grolier, et al., 1977	DH
32.447	298.15	Fortier, Benson, et al., 1976	DH
32.4474	298.15	Fortier and Benson, 1976	DH
32.43	298.15	Rajagopal and Subrahmanyam, 1974	T = 298.15 to 323.15 K.; DH
32.10	298.	Deshpande and Bhatagadde, 1971	T = 298 to 318 K.; DH
32.48	298.15	Hyder Khan and Subrahmanyam, 1971	T = 298; 313 K.; DH
32.48	298.	Subrahmanyam and Khan, 1969	DH
32.36	298.	Recko, 1968	T = 24 to 40°C, equation only.; DH
31.1	298.	Pacor, 1967	DH
32.17	293.	Rastorguev and Ganiev, 1967	T = 293 to 353 K.; DH
32.337	300.	Findenegg, Gruber, et al., 1965	DH
32.261	298.	Rabinovich and Nikolaev, 1962	T = 10 to 35°C.; DH
32.29	316.	Swietoslawski and Zielenkiewicz, 1960	Mean value 21 to 66°C.; DH
32.60	303.	Duff and Everett, 1956	T = 303 to 353 K.; DH
32.321	298.	Staveley, Tupman, et al., 1955	T = 288 to 347 K.; DH
7.60	293.	Sieg, Crtzen, et al., 1951	DH
32.519	298.15	Oliver, Eaton, et al., 1948	T = 13 to 337 K.; DH
28.4	295.	Tschamler, 1948	DH
31.91	298.	Kurbatov, 1947	T = 9 to 80°C, mean Cp, five temperatures.; DH
32.50	298.1	Zhdanov, 1941	T = 8 to 46°C.; DH
32.371	298.2	Burlew, 1940	T = 281 to 353 K.; DH
31.41	287.8	Kolosovskii and Udovenko, 1934	DH
31.41	287.8	de Kolossowsky and Udowenko, 1933	DH
31.41	298.15	Ferguson and Miller, 1933	T = 293 to 323 K. Data calculated from equation.; DH
32.29	298.1	Richards and Wallace, 1932	T = 293 to 333 K.; DH
34.314	323.15	Fiock, Ginnings, et al., 1931	T = 50 to 110°C.; DH
32.29	300.0	Huffman, Parks, et al., 1930	T = 93 to 300 K. Value is unsmoothed experimental datum.; DH
31.60	298.	Andrews, Lynn, et al., 1926	T = -18 to 110°C.; DH
31.81	293.2	Williams and Daniels, 1925	T = 20 to 60°C.; DH
32.00	303.	Willams and Daniels, 1924	T = 303 to 333 K. Equation only.; DH
32.79	298.	Dejardin, 1919	T = 24 to 50°C.; DH
31.91	298.	von Reis, 1881	T = 292 to 364 K.; DH

Constant pressure heat capacity of solid

C_p,solid (cal/mol*K)	Temperature (K)	Reference	Comment
11.44	90.	Ahlberg, Blanchard, et al., 1937	T = 4 to 93 K.; DH
23.4	223.9	Aoyama and Kanda, 1935	T = 82 to 224 K. Value is unsmoothed experimental datum.; DH
28.30	273.	Maass and Walbauer, 1925	T = 93 to 273 K.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
T_boil	353.3 ± 0.1	K	AVG	N/A	Average of 147 out of 183 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	278.64 ± 0.08	K	AVG	N/A	Average of 57 out of 69 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	278.5 ± 0.6	K	AVG	N/A	Average of 9 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_c	562.0 ± 0.8	K	AVG	N/A	Average of 36 out of 41 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	48.3 ± 0.4	atm	AVG	N/A	Average of 24 out of 26 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.25 ± 0.03	l/mol	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
ρ_c	3.9 ± 0.2	mol/l	AVG	N/A	Average of 12 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	8.10 ± 0.03	kcal/mol	AVG	N/A	Average of 10 out of 11 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	10.6	kcal/mol	TE,ME	Kruif, 1980	Based on data from 183. to 197. K.; AC

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
7.342	353.3	N/A	Majer and Svoboda, 1985
7.93	320.	N/A	Lubomska, Banas, et al., 2002	Based on data from 305. to 345. K.; AC
8.51	258. to 313.	GC	Liu and Dickhut, 1994	AC
8.01	311.	EB	Ambrose, Ewing, et al., 1990	Based on data from 296. to 377. K.; AC
7.98	307.	C	Dong, Lin, et al., 1988	AC
7.91	314.	C	Dong, Lin, et al., 1988	AC
7.74	324.	C	Dong, Lin, et al., 1988	AC
7.62	332.	C	Dong, Lin, et al., 1988	AC
7.50	344.	C	Dong, Lin, et al., 1988	AC
7.31	353.	C	Dong, Lin, et al., 1988	AC
8.22	294.	A	Stephenson and Malanowski, 1987	Based on data from 279. to 377. K.; AC
7.53	368.	A	Stephenson and Malanowski, 1987	Based on data from 353. to 422. K.; AC
7.22	435.	A	Stephenson and Malanowski, 1987	Based on data from 420. to 502. K.; AC
7.24	516.	A	Stephenson and Malanowski, 1987	Based on data from 501. to 562. K.; AC
7.36	352.	N/A	Natarajan, 1983	AC
7.29	361.	N/A	Natarajan, 1983	AC
7.22	366.	N/A	Natarajan, 1983	AC
8.44	343.	N/A	Tsonopoulos and Wilson, 1983	Based on data from 313. to 373. K.; AC
7.4	350.	N/A	Rao and Viswanath, 1977	AC
7.89 ± 0.02	313.	C	Svoboda, Veselý, et al., 1973	AC
7.70 ± 0.02	328.	C	Svoboda, Veselý, et al., 1973	AC
7.60 ± 0.02	333.	C	Svoboda, Veselý, et al., 1973	AC
7.50 ± 0.02	343.	C	Svoboda, Veselý, et al., 1973	AC
7.39 ± 0.02	353.	C	Svoboda, Veselý, et al., 1973	AC
7.79 ± 0.1	313.	DSC	Mita, Imai, et al., 1971	AC
7.8 ± 0.1	328.	DSC	Mita, Imai, et al., 1971	AC
7.55 ± 0.1	345.	DSC	Mita, Imai, et al., 1971	AC
8.15	299.	N/A	Forziati, Norris, et al., 1949	Based on data from 284. to 354. K.; AC
8.15	293.	N/A	Yarym-Agaev, Fedos'ev, et al., 1949	AC
8.15	297.	N/A	Thomson, 1946	Based on data from 282. to 354. K.; AC
7.46	294.	N/A	Scott and Brickwedde, 1945	AC
8.15	303.	MM	Willingham, Taylor, et al., 1945	Based on data from 288. to 354. K.; AC
7.98	313.	EB	Smith, 1941	Based on data from 298. to 373. K.; AC
8.25	288.	N/A	Stuckey and Saylor, 1940	Based on data from 273. to 348. K.; AC

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
T_r = reduced temperature (T / T_c)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K)	293. to 469.
A (kcal/mol)	11.33
α	0.1231
β	0.3602
T_c (K)	562.1
Reference	Majer and Svoboda, 1985

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K)	A	B	C	Reference	Comment
333.4 to 373.5	4.72012	1660.652	-1.461	Eon, Pommier, et al., 1971	Coefficents calculated by NIST from author's data.
297.9 to 318.	0.14020	39.165	-261.236	Deshpande and Pandya, 1967	Coefficents calculated by NIST from author's data.
421.56 to 554.8	4.59791	1701.073	20.806	Kalafati, Rasskazov, et al., 1967	Coefficents calculated by NIST from author's data.
287.70 to 354.07	4.01243	1203.835	-53.226	Williamham, Taylor, et al., 1945

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
9.97	258. to 273.	N/A	Liu and Dickhut, 1994	AC
10.8	264.	A	Stephenson and Malanowski, 1987	Based on data from 223. to 279. K. See also Ha, Morrison, et al., 1976.; AC
10.8	278.	N/A	Hessler, 1984	AC
12.9 ± 0.2	193.	N/A	De Kruif and Van Ginkel, 1977	AC
11.8 ± 0.1	193.	N/A	De Kruif and Van Ginkel, 1977	AC
10.9	279.	MM	Jackowski, 1974	Based on data from 221. to 268. K.; AC
10.5	261.	N/A	Jones, 1960	AC
10.3	229.	N/A	Jones, 1960	AC
10.7	279.	N/A	Milazzo, 1956	AC
11.1	282.	A	Stull, 1947	Based on data from 263. to 270. K.; AC
9.2	303.	V	Wolf and Weghofer, 1938	ALS
10.7	273.	N/A	de Boer, 1936	See also Jackowski, 1974.; AC
10.3	226.	A	Mündel, 1913	Based on data from 214. to 238. K.; AC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Method	Reference	Comment
2.3581	278.69	N/A	Oliver, Eaton, et al., 1948	DH
2.370	278.65	N/A	Ziegler and Andrews, 1942	DH
2.36	278.7	C	Domalski and Hearing, 1996	See also Andrews, Lynn, et al., 1926 and Ziegler and Andrews, 1942.; AC
2.223	279.1	N/A	Smith, 1979	DH
2.139	278.8	N/A	Pacor, 1967	DH
2.375	278.6	N/A	Tschamler, 1948	DH
2.343	278.6	N/A	Huffman, Parks, et al., 1930	DH
2.360	278.55	N/A	Andrews, Lynn, et al., 1926	DH
2.3901	278.64	N/A	Maass and Walbauer, 1925	DH

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
8.461	278.69	Oliver, Eaton, et al., 1948	DH
8.506	278.65	Ziegler and Andrews, 1942	DH
7.96	279.1	Smith, 1979	DH
7.67	278.8	Pacor, 1967	DH
8.411	278.6	Huffman, Parks, et al., 1930	DH
8.48	278.55	Andrews, Lynn, et al., 1926	DH
8.58	278.64	Maass and Walbauer, 1925	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Reactions 1 to 50

+ Benzene = ( • Benzene )

By formula: Cl^- + C₆H₆ = (Cl^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.00 ± 0.46	kcal/mol	N/A	Tschurl, Ueberfluss, et al., 2007	gas phase; B
Δ_rH°	9.4 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.90	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rH°	8.7	kcal/mol	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rH°	10.4	kcal/mol	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rS°	17.1	cal/mol*K	N/A	Larson and McMahon, 1984, 2	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δ_rS°	22.	cal/mol*K	N/A	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.0 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.8 ± 1.6	kcal/mol	IMRE	Chowdhury and Kebarle, 1986	gas phase; B
Δ_rG°	4.8 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rG°	3.80	kcal/mol	IMRE	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.6	300.	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8	300.	PHPMS	Chowdhury and Kebarle, 1986	gas phase; M
3.8	300.	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M

C₆H₅^- + = Benzene

By formula: C₆H₅^- + H⁺ = C₆H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	401.22 ± 0.50	kcal/mol	G+TS	Davico, Bierbaum, et al., 1995	gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δ_rH°	401.16 ± 0.21	kcal/mol	D-EA	Gunion, Gilles, et al., 1992	gas phase; B
Δ_rH°	400.7 ± 2.5	kcal/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rH°	401. ± 10.	kcal/mol	CIDT	Graul and Squires, 1990	gas phase; B
Δ_rH°	398.0 ± 5.6	kcal/mol	G+TS	Bohme and Young, 1971	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	392.40 ± 0.40	kcal/mol	IMRE	Davico, Bierbaum, et al., 1995	gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δ_rG°	390.9 ± 2.0	kcal/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rG°	390.1 ± 6.5	kcal/mol	IMRB	Bartmess and McIver Jr., 1979	gas phase; B
Δ_rG°	389.2 ± 5.5	kcal/mol	IMRB	Bohme and Young, 1971	gas phase; B

C₆H₆⁺ + Benzene = (C₆H₆⁺ • Benzene )

By formula: C₆H₆⁺ + C₆H₆ = (C₆H₆⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14. ± 8.	kcal/mol	AVG	N/A	Average of 7 out of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Δ_rS°	27.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Δ_rS°	23.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; M

+ Benzene = ( • Benzene )

By formula: Li⁺ + C₆H₆ = (Li⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.5 ± 3.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	37.9	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δ_rH°	36.5	kcal/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.5	cal/mol*K	N/A	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29.7	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

+ Benzene = ( • Benzene )

By formula: Br^- + C₆H₆ = (Br^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; B
Δ_rG°	3.9 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.0	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Na⁺ • C₆H₆) + C₆H₆ = (Na⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20. ± 1.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points

+ Benzene = ( • Benzene )

By formula: Na⁺ + C₆H₆ = (Na⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.8 ± 1.4	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	21.1 ± 1.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	21.1 ± 1.1	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	28.0	kcal/mol	HPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.2	cal/mol*K	HPMS	Guo, Purnell, et al., 1990	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.7	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

C₉H₁₃N⁺ + Benzene = (C₉H₁₃N⁺ • Benzene )

By formula: C₉H₁₃N⁺ + C₆H₆ = (C₉H₁₃N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.6	331.	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₇H₉N⁺ + Benzene = (C₇H₉N⁺ • Benzene )

By formula: C₇H₉N⁺ + C₆H₆ = (C₇H₉N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.3	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₈H₁₁N⁺ + Benzene = (C₈H₁₁N⁺ • Benzene )

By formula: C₈H₁₁N⁺ + C₆H₆ = (C₈H₁₁N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.0	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₁₀H₁₀Fe⁺ + Benzene = (C₁₀H₁₀Fe⁺ • Benzene )

By formula: C₁₀H₁₀Fe⁺ + C₆H₆ = (C₁₀H₁₀Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.	kcal/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	252.	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Co⁺ • C₆H₆) + C₆H₆ = (Co⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.9 ± 3.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.8	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
39.9 (+3.2,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M
27.0 (+1.0,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

C₇H₈⁺ + Benzene = (C₇H₈⁺ • Benzene )

By formula: C₇H₈⁺ + C₆H₆ = (C₇H₈⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	MPI	Ernstberger, Krause, et al., 1990	gas phase; M
Δ_rH°	5.5	kcal/mol	PI	Ruhl, Bisling, et al., 1986	gas phase; from vIP of perpendicular dimer; M
Δ_rH°	12.4	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₂H₇O⁺ + Benzene = (C₂H₇O⁺ • Benzene )

By formula: C₂H₇O⁺ + C₆H₆ = (C₂H₇O⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.7	491.	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

( • Benzene • ) + Benzene = ( • 2 Benzene • )

By formula: (K⁺ • C₆H₆ • H₂O) + C₆H₆ = (K⁺ • 2C₆H₆ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.4	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

( • 2 • Benzene ) + = ( • 3 • Benzene )

By formula: (K⁺ • 2H₂O • C₆H₆) + H₂O = (K⁺ • 3H₂O • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.3	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

( • • Benzene ) + = ( • 2 • Benzene )

By formula: (K⁺ • H₂O • C₆H₆) + H₂O = (K⁺ • 2H₂O • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.7	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.4	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

+ Benzene = ( • Benzene )

By formula: I^- + C₆H₆ = (I^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.1 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.1 ± 1.0	kcal/mol	TDAs	Caldwell, Masucci, et al., 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

C₃H₃⁺ + Benzene = (C₃H₃⁺ • Benzene )

By formula: C₃H₃⁺ + C₆H₆ = (C₃H₃⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	9.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M

( • • 2 Benzene ) + = ( • 2 • 2 Benzene )

By formula: (K⁺ • H₂O • 2C₆H₆) + H₂O = (K⁺ • 2H₂O • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.4	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

(C₆H₆⁺ • 2 Benzene ) + Benzene = (C₆H₆⁺ • 3 Benzene )

By formula: (C₆H₆⁺ • 2C₆H₆) + C₆H₆ = (C₆H₆⁺ • 3C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.0	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M

( • Benzene • 2) + Benzene = ( • 2 Benzene • 2)

By formula: (K⁺ • C₆H₆ • 2H₂O) + C₆H₆ = (K⁺ • 2C₆H₆ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.7	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

+ Benzene = ( • Benzene )

By formula: Cr⁺ + C₆H₆ = (Cr⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40.2	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	39.2 ± 3.3	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	40.6 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
40.6 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • 2 Benzene ) + = ( • • 2 Benzene )

By formula: (K⁺ • 2C₆H₆) + H₂O = (K⁺ • H₂O • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.7	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 2H2O)C6H6; Searles and Kebarle, 1969; M

( • Benzene ) + = ( • • Benzene )

By formula: (K⁺ • C₆H₆) + H₂O = (K⁺ • H₂O • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.1	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	29.9	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ C6H6)C6H6; Searles and Kebarle, 1969; M

( • 2) + Benzene = ( • Benzene • 2)

By formula: (K⁺ • 2H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.4	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.3	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

( • 3) + Benzene = ( • Benzene • 3)

By formula: (K⁺ • 3H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.6	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

( • ) + Benzene = ( • Benzene • )

By formula: (K⁺ • H₂O) + C₆H₆ = (K⁺ • C₆H₆ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cr⁺ • C₆H₆) + C₆H₆ = (Cr⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.7 ± 9.1	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	55.4 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.3 (+4.4,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: F^- + C₆H₆ = (F^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B

+ Benzene = ( • Benzene )

By formula: Mn⁺ + C₆H₆ = (Mn⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.4	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	31.8 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
31.8 (+2.1,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: V⁺ + C₆H₆ = (V⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>55.	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	55.9 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.8 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: Fe⁺ + C₆H₆ = (Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.1	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	49.5 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
49.6 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: Ti⁺ + C₆H₆ = (Ti⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.9	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	61.9 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
61.8 (+2.1,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (K⁺ • C₆H₆) + C₆H₆ = (K⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.1 ± 1.7	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	18.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.9	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

C₄H₉⁺ + Benzene = (C₄H₉⁺ • Benzene )

By formula: C₄H₉⁺ + C₆H₆ = (C₄H₉⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.	kcal/mol	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	49.	cal/mol*K	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M

(C₆H₆⁺ • Benzene ) + Benzene = (C₆H₆⁺ • 2 Benzene )

By formula: (C₆H₆⁺ • C₆H₆) + C₆H₆ = (C₆H₆⁺ • 2C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.8 ± 0.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M

+ Benzene = ( • Benzene )

By formula: K⁺ + C₆H₆ = (K⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.5 ± 0.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	19.2	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.6	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

C₆H₇N⁺ + Benzene = (C₆H₇N⁺ • Benzene )

By formula: C₆H₇N⁺ + C₆H₆ = (C₆H₇N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₁₁H₁₀⁺ + Benzene = (C₁₁H₁₀⁺ • Benzene )

By formula: C₁₁H₁₀⁺ + C₆H₆ = (C₁₁H₁₀⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.0	cal/mol*K	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M

C₆H₅Cl⁺ + Benzene = (C₆H₅Cl⁺ • Benzene )

By formula: C₆H₅Cl⁺ + C₆H₆ = (C₆H₅Cl⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.0	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₉H₁₂⁺ + Benzene = (C₉H₁₂⁺ • Benzene )

By formula: C₉H₁₂⁺ + C₆H₆ = (C₉H₁₂⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.6	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

+ Benzene = ( • Benzene )

By formula: NO^- + C₆H₆ = (NO^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.1	kcal/mol	ICR	Reents and Freiser, 1981	gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Fe⁺ • C₆H₆) + C₆H₆ = (Fe⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.7 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
44.7 (+3.9,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ti⁺ • C₆H₆) + C₆H₆ = (Ti⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.5 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
60.4 (+4.4,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Mn⁺ • C₆H₆) + C₆H₆ = (Mn⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
48.4 (+3.9,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ni⁺ • C₆H₆) + C₆H₆ = (Ni⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.1 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
35.1 (+2.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cu⁺ • C₆H₆) + C₆H₆ = (Cu⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.0 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
37.1 (+2.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

(CAS Reg. No. 79431-04-2 • 4294967295 Benzene ) + Benzene = CAS Reg. No. 79431-04-2

By formula: (CAS Reg. No. 79431-04-2 • 4294967295C₆H₆) + C₆H₆ = CAS Reg. No. 79431-04-2

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.5 ± 4.2	kcal/mol	Ther	Lee and Squires, 1986	gas phase; Between SiH₄, tBuOH; value altered from reference due to change in acidity scale; B

+ Benzene = ( • Benzene )

By formula: Ni⁺ + C₆H₆ = (Ni⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.1 ± 2.6	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
58.1 (+2.5,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
0.18		M	N/A	missing citation also measured solubilities in salt solutions.
0.16	4100.	L	N/A
0.21	3600.	M	N/A
0.21		M	N/A
0.18		X	N/A	Value given here as cited in missing citation.
0.17		M	N/A
0.19	3800.	M	N/A
0.17	3900.	X	N/A
0.18		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.16	4300.	X	N/A
0.18	3200.	X	N/A
0.18	2200.	X	N/A
0.18	4000.	X	Leighton and Calo, 1981
0.18		L	N/A
0.12	5300.	X	N/A
0.19	4300.	X	N/A
0.18		M	Mackay, Shiu, et al., 1979
0.18		T	Mackay, Shiu, et al., 1979
0.18		V	N/A
0.18		M	N/A
0.22	4200.	M	N/A
0.16	4500.	M	N/A
0.18		V	Bohon and Claussen, 1951

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₆H₆⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.24378 ± 0.00007	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	179.3	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	173.4	kcal/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kcal/mol)	Reference	Comment
178.4	Aue, Guidoni, et al., 2000	Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol)	Reference	Comment
172.5	Aue, Guidoni, et al., 2000	Experimental literature data re-evaluated by the authors using ab initio protonation entropies; MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.24384 ± 0.00006	TE	Nemeth, Selzle, et al., 1993	LL
9.24372 ± 0.00005	TE	Chewter, Sander, et al., 1987	LBLHLM
9.20	EI	Stahl and Maquin, 1984	LBLHLM
9.2459 ± 0.0002	S	Grubb, Whetten, et al., 1984	LBLHLM
9.23 ± 0.03	EI	Arimura and Yoshikawa, 1984	LBLHLM
9.25	PE	Klasinc, Kovac, et al., 1983	LBLHLM
9.23	PE	Cetinkaya, Lappert, et al., 1983	LBLHLM
9.25	PE	Kimura, Katsumata, et al., 1981	LLK
9.240 ± 0.002	LS	Duncan, Dietz, et al., 1981	LLK
9.44	EI	Clare and Sowerby, 1981	LLK
9.25	PE	Bieri and Asbrink, 1980	LLK
9.22	PE	Sell, Mintz, et al., 1978	LLK
9.24	PE	Mattsson, Karlsson, et al., 1977	LLK
9.25 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
9.25 ± 0.07	EI	Selim, 1976	LLK
9.24	PE	Behan, Johnstone, et al., 1976	LLK
9.70	EI	Baldwin, Loudon, et al., 1976	LLK
9.25	CTS	Pitt, 1973	LLK
9.2 ± 0.1	EI	Tajima, Shimizu, et al., 1972	LLK
9.26 ± 0.06	EI	Finney and Harrison, 1972	LLK
9.27	PE	Chizhov, Kleimenov, et al., 1972	LLK
9.24 ± 0.01	PI	Sergeev, Akopyan, et al., 1970	RDSH
9.25 ± 0.01	PI	Demeo and El-Sayed, 1970	RDSH
9.36 ± 0.05	EI	Buchs, 1970	RDSH
9.241 ± 0.001	PE	Asbrink, Lindholm, et al., 1970	RDSH
9.241	TE	Peatman, Borne, et al., 1969	RDSH
9.24 ± 0.01	PE	Dewar and Worley, 1969	RDSH
9.25 ± 0.01	PI	Momigny, Goffart, et al., 1968	RDSH
9.20 ± 0.04	EI	Bock, Seidl, et al., 1968	RDSH
9.24	PE	Baker, May, et al., 1968	RDSH
9.25	PE	Baker, Brundle, et al., 1968	RDSH
9.25 ± 0.02	PE	Clark and Frost, 1967	RDSH
9.26 ± 0.02	EI	Nounou, 1966	RDSH
9.246 ± 0.005	PI	Brehm, 1966	RDSH
9.241 ± 0.006	PI	Nicholson, 1965	RDSH
9.24 ± 0.01	PI	Dibeler and Reese, 1964	RDSH
9.25	PE	Al-Joboury and Turner, 1964	RDSH
9.2	PI	Terenin, 1961	RDSH
9.248	S	El-Sayed, Kaaba, et al., 1961	RDSH
9.247 ± 0.002	S	Wilkinson, 1956	RDSH
9.25 ± 0.01	PI	Watanabe, 1954	RDSH
9.8 ± 0.1	EI	Hustrulid, Kusch, et al., 1938	RDSH
9.242 ± 0.005	S	Price and Wood, 1935	RDSH
9.23	PE	Howell, Goncalves, et al., 1984	Vertical value; LBLHLM
9.25	PE	Kovac, Mohraz, et al., 1980	Vertical value; LLK
9.25	PE	Kaim, Tesmann, et al., 1980	Vertical value; LLK
9.22	PE	Sell and Kupperman, 1978	Vertical value; LLK
9.23	PE	Kobayashi, 1978	Vertical value; LLK
9.3	PE	Klasinc, Novak, et al., 1978	Vertical value; LLK
9.24 ± 0.02	PE	Schmidt, 1977	Vertical value; LLK
9.25 ± 0.05	PE	Gower, Kane-Maguire, et al., 1977	Vertical value; LLK
9.24	PE	Bock, Kaim, et al., 1977	Vertical value; LLK
9.24	PE	Clar and Schmidt, 1976	Vertical value; LLK
9.23	PE	Kobayashi and Nagakura, 1975	Vertical value; LLK
9.24	PE	Bischof, Dewar, et al., 1974	Vertical value; LLK
9.24	PE	Schafer and Schweig, 1972	Vertical value; LLK
9.25 ± 0.03	PE	Klessinger, 1972	Vertical value; LLK
9.24	PE	Bock, Wagner, et al., 1972	Vertical value; LLK
9.2	PE	Carlson and Anderson, 1971	Vertical value; LLK
9.24	PE	Bock and Fuss, 1971	Vertical value; LLK
9.24	PE	Gleiter, Heilbronner, et al., 1970	Vertical value; RDSH

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	28.2 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C₂H₂⁺	19. ± 0.4	?	EI	Lifshitz and Reuben, 1969	RDSH
C₂H₂⁺	18.6	?	EI	Natalis and Franklin, 1965	RDSH
C₂H₂⁺	32.6 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
C₂H₃⁺	19. ± 0.4	?	EI	Lifshitz and Reuben, 1969	RDSH
C₃H₃⁺	13.43	?	LS	Kuhlewind, Kiermeier, et al., 1986	LBLHLM
C₃H₃⁺	15.34 ± 0.06	C₃H₃	EI	Selim, 1976	LLK
C₃H₃⁺	16.90	C₃H₃	PE	Eland, Frey, et al., 1976	LLK
C₃H₃⁺	13.79	C₃H₃	PI	Rosenstock, Larkins, et al., 1973	LLK
C₃H₃⁺	14.7 ± 0.1	?	EI	Lifshitz and Reuben, 1969	RDSH
C₄H₂⁺	17.5 ± 0.3	?	EI	Lifshitz and Reuben, 1969	RDSH
C₄H₃⁺	18.48 ± 0.07	H+C₂H₂	EI	Selim, 1976	LLK
C₄H₃⁺	17.6 ± 0.1	?	EI	Lifshitz and Reuben, 1969	RDSH
C₄H₄⁺	13.40	C₂H₂	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C₄H₄⁺	13.9 ± 0.1	C₂H₂	EI	Rosenstock, McCulloh, et al., 1977	LLK
C₄H₄⁺	14.17 ± 0.08	C₂H₂	PI	Rosenstock, McCulloh, et al., 1977	LLK
C₄H₄⁺	14.85	C₂H₂	PE	Eland, Frey, et al., 1976	LLK
C₄H₄⁺	13.85	C₂H₂	PI	Rosenstock, Larkins, et al., 1973	LLK
C₄H₄⁺	14.1	C₂H₂	EI	Hickling and Jennings, 1970	RDSH
C₄H₄⁺	14.5 ± 0.2	C₂H₂	EI	Lifshitz and Reuben, 1969	RDSH
C₅H₃⁺	15.7 ± 0.1	CH₃	EI	Lifshitz and Reuben, 1969	RDSH
C₆H⁺	29. ± 2.	?	EI	Lifshitz and Reuben, 1969	RDSH
C₆H₄⁺	12.93	H₂	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C₆H₄⁺	14.14 ± 0.08	H₂	EI	Selim, 1976	LLK
C₆H₄⁺	12.94	H₂	PI	Rosenstock, Larkins, et al., 1973	LLK
C₆H₄⁺	14.04 ± 0.06	H₂	EI	Bentley, Johnstone, et al., 1973	LLK
C₆H₄⁺	14.09 ± 0.07	H₂	EI	Natalis and Franklin, 1965	RDSH
C₆H₅⁺	13.12 ± 0.05	H	EVAL	Klippenstein, Faulk, et al., 1993	T = 0K; LL
C₆H₅⁺	12.90	H	LS	Kuhlewind, Kiermeier, et al., 1986	T = 0K; LBLHLM
C₆H₅⁺	13.7 ± 0.1	H	EI	Rosenstock, McCulloh, et al., 1977	LLK
C₆H₅⁺	13.78 ± 0.08	H	PI	Rosenstock, McCulloh, et al., 1977	LLK
C₆H₅⁺	14.56 ± 0.07	H	EI	Selim, 1976	LLK
C₆H₅⁺	12.94	H	PI	Rosenstock, Larkins, et al., 1973	LLK
C₆H₅⁺	13.97 ± 0.06	H	EI	Bentley, Johnstone, et al., 1973	LLK
C₆H₅⁺	14.1 ± 0.1	H	EI	Gross, 1972	LLK
C₆H₅⁺	13.80 ± 0.03	H	PI	Sergeev, Akopyan, et al., 1970	RDSH
C₆H₅⁺	14.1 ± 0.1	H	EI	Lifshitz and Reuben, 1969	RDSH
C₆H₅⁺	13.8 ± 0.1	H	PI	Brehm, 1966	RDSH
C₆H₇₁^-43^-24⁺	14.2 ± 0.2	H₂	EI	Lifshitz and Reuben, 1969	RDSH

De-protonation reactions

C₆H₅^- + = Benzene

By formula: C₆H₅^- + H⁺ = C₆H₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	401.22 ± 0.50	kcal/mol	G+TS	Davico, Bierbaum, et al., 1995	gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δ_rH°	401.16 ± 0.21	kcal/mol	D-EA	Gunion, Gilles, et al., 1992	gas phase; B
Δ_rH°	400.7 ± 2.5	kcal/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rH°	401. ± 10.	kcal/mol	CIDT	Graul and Squires, 1990	gas phase; B
Δ_rH°	398.0 ± 5.6	kcal/mol	G+TS	Bohme and Young, 1971	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	392.40 ± 0.40	kcal/mol	IMRE	Davico, Bierbaum, et al., 1995	gas phase; Revised per Ervin and DeTuro, 2002 change in NH3 acidity. Alecu, Gao, et al., 2007 using thermal methods, agrees with this BDE: 112.8±0.6; value altered from reference due to change in acidity scale; B
Δ_rG°	390.9 ± 2.0	kcal/mol	TDEq	Meot-ner and Sieck, 1986	gas phase; B
Δ_rG°	390.1 ± 6.5	kcal/mol	IMRB	Bartmess and McIver Jr., 1979	gas phase; B
Δ_rG°	389.2 ± 5.5	kcal/mol	IMRB	Bohme and Young, 1971	gas phase; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
RCD - Robert C. Dunbar
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

+ Benzene = ( • Benzene )

By formula: Ag⁺ + C₆H₆ = (Ag⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.3 ± 1.7	kcal/mol	CIDT	Rodgers and Armentrout, 2000	RCD
Δ_rH°	39.9 ± 4.5	kcal/mol	RAK	Ho, Yang, et al., 1997	RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ag⁺ • C₆H₆) + C₆H₆ = (Ag⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.9 ± 4.5	kcal/mol	RAK	Ho, Yang, et al., 1997	RCD

+ Benzene = ( • Benzene )

By formula: Al⁺ + C₆H₆ = (Al⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.1 ± 1.9	kcal/mol	RAK	Dunbar, Klippenstein, et al., 1996	RCD

+ Benzene = ( • Benzene )

By formula: Au⁺ + C₆H₆ = (Au⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	70.0	kcal/mol	IMRB	Schroeder, Hrusak, et al., 1995	RCD

+ Benzene = ( • Benzene )

By formula: Bi⁺ + C₆H₆ = (Bi⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	<35.5	kcal/mol	PDis	Willey, Yeh, et al., 1992	RCD

+ Benzene = ( • Benzene )

By formula: Br^- + C₆H₆ = (Br^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.0	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.5 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1991	gas phase; B
Δ_rG°	3.9 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
0.0	423.	PHPMS	Paul and Kebarle, 1991	gas phase; Entropy change calculated or estimated; M

CH₆N⁺ + Benzene = (CH₆N⁺ • Benzene )

By formula: CH₆N⁺ + C₆H₆ = (CH₆N⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	18.8	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.1	cal/mol*K	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M

C₂H₇O⁺ + Benzene = (C₂H₇O⁺ • Benzene )

By formula: C₂H₇O⁺ + C₆H₆ = (C₂H₇O⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	21.	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	25.	cal/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
8.7	491.	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated; M

C₃H₃⁺ + Benzene = (C₃H₃⁺ • Benzene )

By formula: C₃H₃⁺ + C₆H₆ = (C₃H₃⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	9.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; Entropy change is questionable; M

C₃H₉Si⁺ + Benzene = (C₃H₉Si⁺ • Benzene )

By formula: C₃H₉Si⁺ + C₆H₆ = (C₃H₉Si⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	23.9	kcal/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	34.7	cal/mol*K	PHPMS	Wojtyniak and Stone, 1986	gas phase; M

C₃H₁₀N⁺ + Benzene = (C₃H₁₀N⁺ • Benzene )

By formula: C₃H₁₀N⁺ + C₆H₆ = (C₃H₁₀N⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.9	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.7	cal/mol*K	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M

C₄H₄S⁺ + Benzene = (C₄H₄S⁺ • Benzene )

By formula: C₄H₄S⁺ + C₆H₆ = (C₄H₄S⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.	kcal/mol	HPMS	Field, Hamlet, et al., 1969	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; M

C₄H₉⁺ + Benzene = (C₄H₉⁺ • Benzene )

By formula: C₄H₉⁺ + C₆H₆ = (C₄H₉⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.	kcal/mol	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	49.	cal/mol*K	PHPMS	Sen Sharma, Ikuta, et al., 1982	gas phase; forms protonated t-butylbenzene; M

C₆H₅Cl⁺ + Benzene = (C₆H₅Cl⁺ • Benzene )

By formula: C₆H₅Cl⁺ + C₆H₆ = (C₆H₅Cl⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.0	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₆H₆⁺ + Benzene = (C₆H₆⁺ • Benzene )

By formula: C₆H₆⁺ + C₆H₆ = (C₆H₆⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14. ± 8.	kcal/mol	AVG	N/A	Average of 7 out of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	28.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Δ_rS°	27.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Δ_rS°	23.	cal/mol*K	HPMS	Field, Hamlet, et al., 1969	gas phase; M

(C₆H₆⁺ • Benzene ) + Benzene = (C₆H₆⁺ • 2 Benzene )

By formula: (C₆H₆⁺ • C₆H₆) + C₆H₆ = (C₆H₆⁺ • 2C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.8 ± 0.5	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.8	cal/mol*K	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; M

(C₆H₆⁺ • 2 Benzene ) + Benzene = (C₆H₆⁺ • 3 Benzene )

By formula: (C₆H₆⁺ • 2C₆H₆) + C₆H₆ = (C₆H₆⁺ • 3C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.0	kcal/mol	PHPMS	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Hiraoka, Fujimaki, et al., 1991	gas phase; Entropy change calculated or estimated; M

(C₆H₆⁺ • 5 Benzene ) + Benzene = (C₆H₆⁺ • 6 Benzene )

By formula: (C₆H₆⁺ • 5C₆H₆) + C₆H₆ = (C₆H₆⁺ • 6C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.5	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 6 Benzene ) + Benzene = (C₆H₆⁺ • 7 Benzene )

By formula: (C₆H₆⁺ • 6C₆H₆) + C₆H₆ = (C₆H₆⁺ • 7C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.3	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 7 Benzene ) + Benzene = (C₆H₆⁺ • 8 Benzene )

By formula: (C₆H₆⁺ • 7C₆H₆) + C₆H₆ = (C₆H₆⁺ • 8C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.0	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 8 Benzene ) + Benzene = (C₆H₆⁺ • 9 Benzene )

By formula: (C₆H₆⁺ • 8C₆H₆) + C₆H₆ = (C₆H₆⁺ • 9C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.9	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 9 Benzene ) + Benzene = (C₆H₆⁺ • 10 Benzene )

By formula: (C₆H₆⁺ • 9C₆H₆) + C₆H₆ = (C₆H₆⁺ • 10C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.8	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 10 Benzene ) + Benzene = (C₆H₆⁺ • 11 Benzene )

By formula: (C₆H₆⁺ • 10C₆H₆) + C₆H₆ = (C₆H₆⁺ • 11C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	7.8	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 11 Benzene ) + Benzene = (C₆H₆⁺ • 12 Benzene )

By formula: (C₆H₆⁺ • 11C₆H₆) + C₆H₆ = (C₆H₆⁺ • 12C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.0	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 12 Benzene ) + Benzene = (C₆H₆⁺ • 13 Benzene )

By formula: (C₆H₆⁺ • 12C₆H₆) + C₆H₆ = (C₆H₆⁺ • 13C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.3	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

(C₆H₆⁺ • 13 Benzene ) + Benzene = (C₆H₆⁺ • 14 Benzene )

By formula: (C₆H₆⁺ • 13C₆H₆) + C₆H₆ = (C₆H₆⁺ • 14C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.1	kcal/mol	PDiss	Beck and Hecht, 1991	gas phase; M

C₆H₆NO^- + 2 Benzene = C₁₂H₁₂NO^-

By formula: C₆H₆NO^- + 2C₆H₆ = C₁₂H₁₂NO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.5 ± 2.3	kcal/mol	N/A	Le Barbu, Schiedt, et al., 2002	gas phase; Affinity is difference in EAs of lesser solvated species; B

C₆H₇⁺ + Benzene = (C₆H₇⁺ • Benzene )

By formula: C₆H₇⁺ + C₆H₆ = (C₆H₇⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.0	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₆H₇N⁺ + Benzene = (C₆H₇N⁺ • Benzene )

By formula: C₆H₇N⁺ + C₆H₆ = (C₆H₇N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.9	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	22.6	cal/mol*K	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; M

C₇H₈⁺ + Benzene = (C₇H₈⁺ • Benzene )

By formula: C₇H₈⁺ + C₆H₆ = (C₇H₈⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.2	kcal/mol	MPI	Ernstberger, Krause, et al., 1990	gas phase; M
Δ_rH°	5.5	kcal/mol	PI	Ruhl, Bisling, et al., 1986	gas phase; from vIP of perpendicular dimer; M
Δ_rH°	12.4	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₇H₉N⁺ + Benzene = (C₇H₉N⁺ • Benzene )

By formula: C₇H₉N⁺ + C₆H₆ = (C₇H₉N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.3	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.6	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₈H₁₁N⁺ + Benzene = (C₈H₁₁N⁺ • Benzene )

By formula: C₈H₁₁N⁺ + C₆H₆ = (C₈H₁₁N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.0	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	2.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₉H₁₂⁺ + Benzene = (C₉H₁₂⁺ • Benzene )

By formula: C₉H₁₂⁺ + C₆H₆ = (C₉H₁₂⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	10.6	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; M

C₉H₁₃N⁺ + Benzene = (C₉H₁₃N⁺ • Benzene )

By formula: C₉H₁₃N⁺ + C₆H₆ = (C₉H₁₃N⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2	kcal/mol	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	26.	cal/mol*K	N/A	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.6	331.	PHPMS	Meot-Ner (Mautner) and El-Shall, 1986	gas phase; Entropy change calculated or estimated; M

C₁₀H₁₀Fe⁺ + Benzene = (C₁₀H₁₀Fe⁺ • Benzene )

By formula: C₁₀H₁₀Fe⁺ + C₆H₆ = (C₁₀H₁₀Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	8.	kcal/mol	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.0	252.	PHPMS	Meot-Ner (Mautner), 1989	gas phase; Entropy change calculated or estimated, Δ_rH<, DG<; M

C₁₁H₁₀⁺ + Benzene = (C₁₁H₁₀⁺ • Benzene )

By formula: C₁₁H₁₀⁺ + C₆H₆ = (C₁₁H₁₀⁺ • C₆H₆)

Bond type: Charge transfer bond (positive ion)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.0	kcal/mol	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.0	cal/mol*K	PHPMS	El-Shall and Meot-Ner (Mautner), 1987	gas phase; M

+ Benzene = ( • Benzene )

By formula: Cd⁺ + C₆H₆ = (Cd⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.5 ± 4.5	kcal/mol	RAK	Ho, Yang, et al., 1997	RCD

+ Benzene = ( • Benzene )

By formula: Cl^- + C₆H₆ = (Cl^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.00 ± 0.46	kcal/mol	N/A	Tschurl, Ueberfluss, et al., 2007	gas phase; B
Δ_rH°	9.4 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.90	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rH°	8.7	kcal/mol	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rH°	10.4	kcal/mol	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	17.9	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Δ_rS°	17.	cal/mol*K	N/A	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
Δ_rS°	17.1	cal/mol*K	N/A	Larson and McMahon, 1984, 2	gas phase; switching reaction(Cl-)t-C4H9OH, Entropy change calculated or estimated; French, Ikuta, et al., 1982; M
Δ_rS°	22.	cal/mol*K	N/A	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	4.0 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B
Δ_rG°	3.8 ± 1.6	kcal/mol	IMRE	Chowdhury and Kebarle, 1986	gas phase; B
Δ_rG°	4.8 ± 2.0	kcal/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Δ_rG°	3.80	kcal/mol	IMRE	French, Ikuta, et al., 1982	gas phase; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.6	300.	PHPMS	Paul and Kebarle, 1991	gas phase; from Ph. D. thesis of S. Chowdhury, Entropy change calculated or estimated; M
3.8	300.	PHPMS	Chowdhury and Kebarle, 1986	gas phase; M
3.8	300.	PHPMS	Sunner, Nishizawa, et al., 1981	gas phase; Entropy change calculated or estimated; M

+ Benzene = ( • Benzene )

By formula: Co⁺ + C₆H₆ = (Co⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	61.2 ± 2.6	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
61.1 (+2.5,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Co⁺ • C₆H₆) + C₆H₆ = (Co⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.9 ± 3.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.8	cal/mol*K	SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
39.9 (+3.2,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M
27.0 (+1.0,-0.)		SIDT	Kemper, Bushnell, et al., 1993	gas phase; Δ_rS(490 K); M

+ Benzene = ( • Benzene )

By formula: Cr⁺ + C₆H₆ = (Cr⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	40.2	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	39.2 ± 3.3	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	40.6 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
40.6 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cr⁺ • C₆H₆) + C₆H₆ = (Cr⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.7 ± 9.1	kcal/mol	RAK	Lin and Dunbar, 1997	RCD
Δ_rH°	55.4 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.3 (+4.4,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: Cs⁺ + C₆H₆ = (Cs⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.4 ± 1.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cs⁺ • C₆H₆) + C₆H₆ = (Cs⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.0 ± 1.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Cu⁺ + C₆H₆ = (Cu⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	52.1 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
52.1 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Cu⁺ • C₆H₆) + C₆H₆ = (Cu⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.0 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
37.1 (+2.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: F^- + C₆H₆ = (F^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.30	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	19.5	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	9.40	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1987	gas phase; B

+ Benzene = ( • Benzene )

By formula: Fe⁺ + C₆H₆ = (Fe⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.1	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	49.5 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
49.6 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Fe⁺ • C₆H₆) + C₆H₆ = (Fe⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	44.7 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
44.7 (+3.9,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: H₄N⁺ + C₆H₆ = (H₄N⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	19.3	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.3	cal/mol*K	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (H₄N⁺ • C₆H₆) + C₆H₆ = (H₄N⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.0	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.5	cal/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

( • 2 Benzene ) + Benzene = ( • 3 Benzene )

By formula: (H₄N⁺ • 2C₆H₆) + C₆H₆ = (H₄N⁺ • 3C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.2	kcal/mol	PHPMS	Liebman, Romm, et al., 1991	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.9	cal/mol*K	PHPMS	Liebman, Romm, et al., 1991	gas phase; M

+ Benzene = ( • Benzene )

By formula: I^- + C₆H₆ = (I^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	6.1 ± 2.0	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B,M
Δ_rH°	9.1 ± 1.0	kcal/mol	TDAs	Caldwell, Masucci, et al., 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	14.2	cal/mol*K	PHPMS	Hiraoka, Mizuse, et al., 1988	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1.8 ± 2.6	kcal/mol	TDAs	Hiraoka, Mizuse, et al., 1988	gas phase; B

+ Benzene = ( • Benzene )

By formula: K⁺ + C₆H₆ = (K⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	17.5 ± 0.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	19.2	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.6	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (K⁺ • C₆H₆) + C₆H₆ = (K⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.1 ± 1.7	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	18.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.9	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • 2 Benzene ) + Benzene = ( • 3 Benzene )

By formula: (K⁺ • 2C₆H₆) + C₆H₆ = (K⁺ • 3C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.5	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	32.7	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • 3 Benzene ) + Benzene = ( • 4 Benzene )

By formula: (K⁺ • 3C₆H₆) + C₆H₆ = (K⁺ • 4C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	41.4	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; M

( • Benzene • ) + Benzene = ( • 2 Benzene • )

By formula: (K⁺ • C₆H₆ • H₂O) + C₆H₆ = (K⁺ • 2C₆H₆ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.4	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	30.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; From thermochemical cycle,switching reaction(K+ 3H2O)C6H6, Searles and Kebarle, 1969; M

( • Benzene • 2) + Benzene = ( • 2 Benzene • 2)

By formula: (K⁺ • C₆H₆ • 2H₂O) + C₆H₆ = (K⁺ • 2C₆H₆ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	33.7	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+ 3H2O)C6H6; Searles and Kebarle, 1969; M

( • ) + Benzene = ( • Benzene • )

By formula: (K⁺ • H₂O) + C₆H₆ = (K⁺ • C₆H₆ • H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.8	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.1	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)2H2O; Searles and Kebarle, 1969; M

( • 2) + Benzene = ( • Benzene • 2)

By formula: (K⁺ • 2H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 2H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	13.4	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	24.3	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)3H2O; Searles and Kebarle, 1969; M

( • 3) + Benzene = ( • Benzene • 3)

By formula: (K⁺ • 3H₂O) + C₆H₆ = (K⁺ • C₆H₆ • 3H₂O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	12.6	kcal/mol	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.6	cal/mol*K	HPMS	Sunner, Nishizawa, et al., 1981	gas phase; switching reaction(K+)4H2O; Searles and Kebarle, 1969; M

+ Benzene = ( • Benzene )

By formula: Li⁺ + C₆H₆ = (Li⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	38.5 ± 3.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	37.9	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Δ_rH°	36.5	kcal/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.5	cal/mol*K	N/A	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	29.7	kcal/mol	ICR	Woodin and Beauchamp, 1978	gas phase; switching reaction(Li+)H2O, Entropy change calculated or estimated; Dzidic and Kebarle, 1970 extrapolated; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Li⁺ • C₆H₆) + C₆H₆ = (Li⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.9 ± 1.7	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Mg⁺ + C₆H₆ = (Mg⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	32.0 ± 2.3	kcal/mol	CIDT	Andersen, Muntean, et al., 2000	RCD
Δ_rH°	37.0	kcal/mol	RAK	Gapeev and Dunbar, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Mn⁺ + C₆H₆ = (Mn⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	34.4	kcal/mol	MID	Lin, Chen, et al., 1997	RCD
Δ_rH°	31.8 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
31.8 (+2.1,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Mn⁺ • C₆H₆) + C₆H₆ = (Mn⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 3.8	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
48.4 (+3.9,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = C₆H₆NO^-

By formula: NO^- + C₆H₆ = C₆H₆NO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.5 ± 2.3	kcal/mol	N/A	Le Barbu, Schiedt, et al., 2002	gas phase; Affinity is difference in EAs of lesser solvated species; B

+ Benzene = ( • Benzene )

By formula: NO^- + C₆H₆ = (NO^- • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	41.1	kcal/mol	ICR	Reents and Freiser, 1981	gas phase; switching reaction,Thermochemical ladder(NO+)C2H5OH, Entropy change calculated or estimated; Farid and McMahon, 1978; M

+ Benzene = ( • Benzene )

By formula: Na⁺ + C₆H₆ = (Na⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	22.8 ± 1.4	kcal/mol	CIDC	Amicangelo and Armentrout, 2001	Anchor NH3=24.41; RCD
Δ_rH°	21.1 ± 1.2	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD
Δ_rH°	21.1 ± 1.1	kcal/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	28.0	kcal/mol	HPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	31.2	cal/mol*K	HPMS	Guo, Purnell, et al., 1990	gas phase; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
15.7	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Na⁺ • C₆H₆) + C₆H₆ = (Na⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20. ± 1.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points

+ Benzene = ( • Benzene )

By formula: Ni⁺ + C₆H₆ = (Ni⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.1 ± 2.6	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
58.1 (+2.5,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ni⁺ • C₆H₆) + C₆H₆ = (Ni⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	35.1 ± 2.9	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
35.1 (+2.8,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = C₆H₆O₂^-

By formula: O₂^- + C₆H₆ = C₆H₆O₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	14.1 ± 2.3	kcal/mol	N/A	Le Barbu, Schiedt, et al., 2002	gas phase; Affinity is difference in EAs of lesser solvated species; B

+ Benzene = ( • Benzene )

By formula: Pb⁺ + C₆H₆ = (Pb⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	26.2	kcal/mol	PHPMS	Guo, Purnell, et al., 1990	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	21.6	cal/mol*K	PHPMS	Guo, Purnell, et al., 1990	gas phase; M

+ Benzene = ( • Benzene )

By formula: Rb⁺ + C₆H₆ = (Rb⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	16.4 ± 0.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Rb⁺ • C₆H₆) + C₆H₆ = (Rb⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.0 ± 1.9	kcal/mol	CIDT	Amicangelo and Armentrout, 2000	RCD

+ Benzene = ( • Benzene )

By formula: Ti⁺ + C₆H₆ = (Ti⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	50.9	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	61.9 ± 2.2	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
61.8 (+2.1,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (Ti⁺ • C₆H₆) + C₆H₆ = (Ti⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.5 ± 4.3	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
60.4 (+4.4,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

+ Benzene = ( • Benzene )

By formula: V⁺ + C₆H₆ = (V⁺ • C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	>55.	kcal/mol	RAK	Gapeev and Dunbar, 2002	RCD
Δ_rH°	55.9 ± 2.4	kcal/mol	CIDT	Meyer, Khan, et al., 1995	RCD

Enthalpy of reaction

Δ_rH° (kcal/mol)	T (K)	Method	Reference	Comment
55.8 (+2.3,-0.)		CID	Meyer, Khan, et al., 1995	gas phase; guided ion beam CID; M

( • Benzene ) + Benzene = ( • 2 Benzene )

By formula: (V⁺ • C₆H₆) + C₆H₆ = (V⁺ • 2C₆H₆)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	58.8 ± 4.4	kcal/mol	CID	Meyer, Khan, et al., 1995	gas phase; Δ_rH(0k), guided ion beam CID; M,RCD

(V^- • ) + Benzene = (V^- • Benzene • )

By formula: (V^- • C₆H₅F) + C₆H₆ = (V^- • C₆H₆ • C₆H₅F)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	3. ± 15.	kcal/mol	N/A	Judai, Hirano, et al., 1997	gas phase; B

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

liquid; Bruker Tensor 27 FTIR; 0.48212986 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	NIST Mass Spectrometry Data Center, 1990.
NIST MS number	114388

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.

UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Vibrational and/or electronic energy levels, Gas Chromatography, References, Notes

Data compiled by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

View spectrum image in SVG format.

Download spectrum in JCAMP-DX format.

Source	Romand and Vodar, 1951
Owner	INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference	RAS UV No. 118
Instrument	n.i.g.
Melting point	5.5
Boiling point	80.0

Vibrational and/or electronic energy levels

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References, Notes

Data compiled by: Takehiko Shimanouchi

Symmetry: D_6h Symmetry Number σ = 12

Sym.	No	Approximate	Selected Freq.		Infrared		Raman		Comments

Species		type of mode	Value	Rating	Value	Phase	Value	Phase

a₁g	1	CH str	3062	C	ia		3061.9 VS p	liq.
a₁g	2	Ring str	992	C	ia		991.6 VS p	liq.
a₂g	3	CH bend	1326	E	ia		1326 VW	liq.
a₂u	4	CH bend	673	B	673 S	gas	ia
b₁u	5	CH str	3068	C	3067.57 VW	sln.	ia
b₁u	6	Ring deform	1010	C	1010 W	sln.	ia
b₂g	7	CH bend	995	E	ia		ia		OC(ν₁₉+ν₇,ν₂₀+ν₇)
b₂g	8	Ring deform	703	E	ia		ia		OC(ν₁₉+ν₈, ν₂₀+ν₈)
b₂u	9	Ring str	1310	C	1310 W	liq.	ia
b₂u	10	CH bend	1150	C	1150 W	liq.	ia
e₁g	11	CH bend	849	C	ia		848.9 M dp	liq.
e₁u	12	CH str	3063	E	3080 S	liq.	ia		FR(ν₁₃+ν₁₆)
e₁u	12	CH str	3063	E	3030 S	liq.	ia		FR(ν₁₃+ν₁₆)
e₁u	13	Ring str + deform	1486	B	1486 S	gas	ia
e₁u	14	CH bend	1038	B	1038 S	gas	ia
e₂g	15	CH str	3047	C	ia		3046.8 S dp	liq.
e₂g	16	Ring str	1596	E	ia		1606.4 S dp	liq.	FR(ν₂+ν₁₈)
e₂g	16	Ring str	1596	E	ia		1584.6 S dp	liq.	FR(ν₂+ν₁₈)
e₂g	17	CH bend	1178	C	ia		1178.0 S dp	liq.
e₂g	18	Ring deform	606	C	ia		605.6 S dp	liq.
e₂u	19	CH bend	975	C	975 W	liq.	ia
e₂u	20	Ring deform	410	C	417.7 S	sln.	ia
e₂u	20	Ring deform	410	C	403.0 S	sln.	ia

Source: Shimanouchi, 1972

Notes

Very strong

Strong

Medium

Weak

Very weak

Inactive

Polarized

Depolarized

Fermi resonance with an overtone or a combination tone indicated in the parentheses.

Frequency estimated from an overtone or a combination tone indicated in the parentheses.

1~3 cm^-1 uncertainty

3~6 cm^-1 uncertainty

15~30 cm^-1 uncertainty

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	RTX-5	100.	685.	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2
Capillary	RTX-5	120.	694.74	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2
Capillary	RTX-5	60.	672.74	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2
Capillary	RTX-5	80.	674.03	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2
Capillary	HP-1	0.	651.1	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	10.	648.9	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	20.	657.6	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	30.	650.2	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	40.	646.8	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	50.	645.	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	60.	652.6	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Packed	SE-30	160.	638.	Kurbatova, Finkelstein, et al., 2004	Chromaton N-AW; Column length: 1. m
Capillary	HP-5	100.	678.8	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	HP-5	120.	683.3	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	Squalane	70.	641.51	Soják, 2004	H2
Capillary	Squalane	70.	641.45	Soják, 2004	N2
Capillary	Squalane	70.	641.96	Soják, 2004	N2
Capillary	DB-1	313.	649.89	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	323.	651.77	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	333.	653.93	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	343.	656.09	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	353.	658.35	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	363.	660.36	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	373.	663.60	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	383.	664.40	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	393.	666.96	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	403.	670.44	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	413.	672.02	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-1	423.	674.86	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	313.	666.03	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	323.	667.42	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	333.	669.56	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	343.	671.74	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	353.	673.50	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	363.	675.70	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	373.	677.75	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	383.	680.27	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	393.	681.27	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	403.	683.59	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	413.	685.29	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Capillary	DB-5	423.	687.79	Ciaznska-Halarewicz and Kowalska, 2003	30. m/0.32 mm/1. μm
Packed	OV-1	130.	672.	Gurevich and Roshchina, 2003	He or N2, Gas-Chrom Q
Capillary	SE-30	160.	684.6	Santiuste, Harangi, et al., 2003
Capillary	HP-5	120.	682.5	Santiuste, Harangi, et al., 2003
Capillary	HP-5	120.	676.	Santiuste J.M. and Takacs J.M., 2003	60. m/0.25 mm/0.25 μm, N2
Capillary	HP-5	140.	686.4	Santiuste J.M. and Takacs J.M., 2003	60. m/0.25 mm/0.25 μm, N2
Capillary	Methyl Silicone	150.	670.45	Berezkin, Korolev, et al., 2002	He; Column length: 15. m; Column diameter: 0.24 mm
Capillary	Squalane	50.	636.6	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	60.	639.1	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	70.	641.7	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	80.	644.5	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	90.	646.6	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	100.	650.0	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Capillary	Squalane	110.	652.5	Wick, Siepmann, et al., 2002	30. m/0.25 mm/0.25 μm, He
Packed	C78, Branched paraffin	130.	677.2	Dallos, Sisak, et al., 2000	He; Column length: 3.3 m
Capillary	HP-101	60.	654.52	Garay, 2000	50. m/0.2 mm/0.2 μm, H2
Capillary	OV-101	110.	662.	Zhuravleva, 2000	50. m/0.3 mm/0.4 μm, He
Capillary	Squalane	200.	675.	Castello, Vezzani, et al., 1999
Capillary	OV-1	100.	663.	Zhu, Zhang, et al., 1999	Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-1	100.	663.0	Zhu, Zhang, et al., 1999	Column length: 50. m; Column diameter: 0.25 mm
Capillary	DB-1	140.	668.	Beens, Tijssen, et al., 1998	10. m/0.25 mm/0.25 μm, He
Capillary	DB-1	60.	654.	Dewulf, Van Langenhove, et al., 1997	30. m/0.53 mm/5.0 μm, He
Capillary	OV-101	0.	644.	Skrbic, 1997
Capillary	OV-101	110.	677.	Terenina, Zhuravieva, et al., 1997	50. m/0.3 mm/0.4 μm, He
Packed	OV-101	100.	663.2	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	110.	667.4	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	80.	654.7	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Packed	OV-101	90.	660.2	Righezza, Hassani, et al., 1996	N2, Chromosorb G HP; Column length: 5. m
Capillary	CP Sil 2	60.	649.4	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	CP Sil 2	80.	656.3	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	SPB-1	60.	643.	Castello, Vezzani, et al., 1994	30. m/0.32 mm/0.25 μm, He
Capillary	OV-101	150.	678.1	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	OV-101	180.	688.0	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	DB-1	60.	653.8	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.25 μm
Capillary	PONA	60.	654.2	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	PONA	60.	654.2	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	DB-1	60.	654.4	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 1. μm
Capillary	OV-101	60.	653.5	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.2 μm
Capillary	CP Sil 5 CB	20.	647.2	Do and Raulin, 1992	25. m/0.15 mm/2. μm, H2
Packed	OV-101	120.	669.9	Hassani and Meklati, 1992	N2, Chromosorb G HP; Column length: 5. m
Packed	Squalane	100.	649.	Hongwei and Zhide, 1992	H2, Silanized white support (80-100 mesh); Column length: 3. m
Packed	SE-30	120.	666.	Kowalski, 1992	He, Gas Chrom Q (100-120 mesh); Column length: 0.25 m
Packed	C78, Branched paraffin	130.	675.0	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Capillary	HP-1	60.	655.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	655.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	664.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	664.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	OV-1	100.	663.1	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm
Capillary	OV-1	120.	670.7	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm
Capillary	OV-101	100.	663.	Dimov and Mekenyan, 1989	Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-1	45.	651.3	Guan, Kiraly, et al., 1989	20. m/0.32 mm/1.2 μm, He
Capillary	OV-1	65.	655.4	Guan, Kiraly, et al., 1989	20. m/0.32 mm/1.2 μm, He
Capillary	OV-1	45.	651.4	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	OV-1	65.	655.8	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	Squalane	50.	637.2	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	Squalane	70.	641.8	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	SE-54	45.	666.5	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	SE-54	65.	667.4	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Packed	Squalane	70.	645.	Safina, Poznyak, et al., 1989	He, Risorb (0.2-0.3 mm); Column length: 2. m
Capillary	HP-1	60.	654.	Bangjie, Yijian, et al., 1988	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	655.	Bangjie, Yijian, et al., 1988	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	OV-101	40.	649.	Laub and Purnell, 1988
Capillary	OV-101	60.	653.	Laub and Purnell, 1988
Capillary	OV-101	80.	658.	Laub and Purnell, 1988
Capillary	Squalane	50.	637.	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	70.	641.4	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	SE-30	110.	662.	Samusenko and Golovnya, 1988	25. m/0.32 mm/1. μm, He
Capillary	SE-30	80.	661.	Samusenko and Golovnya, 1988	25. m/0.32 mm/1. μm, He
Capillary	PoraPLOT Q	200.	630.	de Zeeuw, de Nijs, et al., 1988	H2; Column length: 25. m; Column diameter: 0.53 mm
Capillary	PoraPLOT Q	200.	650.	de Zeeuw, de Nijs, et al., 1988	H2; Column length: 25. m; Column diameter: 0.53 mm
Capillary	OV-101	100.	664.	Engewald, Topalova, et al., 1987	Column length: 50. m; Column diameter: 0.30 mm
Packed	Apolane	150.	687.	Evans and Haken, 1987	He, Chromosorb G AW DCMS; Column length: 3.7 m
Packed	OV-101	120.	672.	Fernández-Sánchez, Fernández-Torres, et al., 1987	N2, Chromosorb W AW DMCS (80-100 mesh); Column length: 2. m
Packed	Squalane	80.	646.	Fernández-Sánchez, García-Domínguez, et al., 1987	H2
Packed	Squalane	80.	642.	Kersten and Poole, 1987	N2; Column length: 3.5 m
Capillary	Squalane	100.	651.	Nabivach and Vasiliev, 1987
Capillary	OV-101	40.	652.1	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	50.	654.1	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	60.	656.0	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	70.	658.3	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Packed	Apolane	150.	687.	Haken and Vernon, 1986	Chromosorb G AW DCMS; Column length: 3.7 m
Packed	SE-30	180.	681.	Oszczapowicz, Osek, et al., 1985	N2, Chromosorb A AW; Column length: 3. m
Packed	SE-30	42.	655.	Rudenko, Mal'tsev, et al., 1985	Column length: 3. m
Packed	SE-30	180.	681.	Oszczapowicz, Osek, et al., 1984	N2, Chromosorb W AW; Column length: 3. m
Packed	SE-30	120.	668.	Stolyarov and Kartsova, 1984	N2; Column length: 200. m
Packed	SE-30	150.	675.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Packed	OV-1	120.	669.	Valko, Papp, et al., 1984	Gas Chrom Q; Column length: 2. m
Capillary	OV-101	100.	662.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	100.	664.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	100.	662.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Capillary	OV-101	110.	664.	Boneva, Papazova, et al., 1983	N2; Column length: 85. m; Column diameter: 0.28 mm
Packed	Apolane	100.	670.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Squalane	100.	647.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Squalane	120.	653.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Squalane	125.	652.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Packed	Squalane	200.	675.	Castello and D'Amato, 1983	He, Chromosorb G; Column length: 3. m
Capillary	OV-101	30.	647.	Chien, Furio, et al., 1983
Capillary	OV-101	40.	649.	Chien, Furio, et al., 1983
Capillary	OV-101	50.	651.	Chien, Furio, et al., 1983
Capillary	OV-101	60.	653.	Chien, Furio, et al., 1983
Capillary	OV-101	70.	656.	Chien, Furio, et al., 1983
Capillary	OV-101	80.	658.	Chien, Furio, et al., 1983
Capillary	OV-3	30.	671.1	Chien, Furio, et al., 1983, 2
Capillary	OV-3	40.	673.0	Chien, Furio, et al., 1983, 2
Capillary	OV-3	50.	675.1	Chien, Furio, et al., 1983, 2
Capillary	OV-3	60.	677.2	Chien, Furio, et al., 1983, 2
Capillary	OV-3	70.	679.5	Chien, Furio, et al., 1983, 2
Capillary	OV-3	80.	681.9	Chien, Furio, et al., 1983, 2
Capillary	Squalane	106.	650.	Kugucheva and Mashinsky, 1983	He; Column length: 100. m
Capillary	Squalane	96.	647.	Kugucheva and Mashinsky, 1983	He; Column length: 100. m
Capillary	DB-1	60.	653.8	Lubeck and Sutton, 1983	Column length: 60. m; Column diameter: 0.264 mm
Capillary	DB-1	60.	654.4	Lubeck and Sutton, 1983	60. m/0.259 mm/1. μm
Capillary	SE-30	70.	657.1	Tóth, 1983	N2; Column length: 15. m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	685.2	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Apiezon L	100.	685.6	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Apiezon L	100.	686.8	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Apiezon L	100.	687.4	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	SE-30	100.	664.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Capillary	OV-1	50.	652.	Anders, Scheller, et al., 1982	Column length: 55. m; Column diameter: 0.21 mm
Capillary	SE-30	130.	670.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	SE-30	80.	659.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	OV-101	100.	664.	Gerasimenko and Nabivach, 1982	N2; Column length: 50. m; Column diameter: 0.30 mm
Capillary	OV-101	120.	671.	Gerasimenko and Nabivach, 1982	N2; Column length: 50. m; Column diameter: 0.30 mm
Capillary	OV-101	140.	678.	Gerasimenko and Nabivach, 1982	N2; Column length: 50. m; Column diameter: 0.30 mm
Packed	Apiezon L	70.	667.	Jaworski, 1982	Column length: 1.8 m
Packed	Apiezon L	150.	680.	Jaworski, 1982	Column length: 3. m
Capillary	OV-101	50.	654.	Johansen and Ettre, 1982	100. m/0.27 mm/0.20 μm
Capillary	OV-101	50.	651.	Johansen and Ettre, 1982	55. m/0.27 mm/0.9 μm
Capillary	OV-1	50.	653.	Johansen and Ettre, 1982	17.5 m/0.2 mm/0.15 μm
Capillary	SE-30	50.	650.	Johansen and Ettre, 1982	17.5 m/0.2 mm/0.15 μm
Capillary	Squalane	86.	648.	Macák, Nabivach, et al., 1982	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	96.	650.22	Macák, Nabivach, et al., 1982	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-1	30.	648.4	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	40.	650.5	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	50.	652.6	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	60.	654.9	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	70.	657.2	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	80.	659.7	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	30.	645.7	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	40.	648.	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	50.	650.3	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	60.	652.7	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	70.	655.2	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	80.	658.2	Chien, Kopecni, et al., 1981	H2
Capillary	OV-101	100.	663.6	Gerasimenko, Kirilenko, et al., 1981	N2; Column length: 50. m; Column diameter: 0.3 mm
Capillary	OV-101	120.	670.7	Gerasimenko, Kirilenko, et al., 1981	N2; Column length: 50. m; Column diameter: 0.3 mm
Capillary	OV-101	140.	677.8	Gerasimenko, Kirilenko, et al., 1981	N2; Column length: 50. m; Column diameter: 0.3 mm
Capillary	Squalane	50.	638.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	638.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	OV-1	60.	646.	Nijs and Jacobs, 1981	He; Column length: 150. m; Column diameter: 0.50 mm
Capillary	SE-30	80.	659.1	Albaigés and Guardino, 1980	He; Column length: 64. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	642.9	Albaigés and Guardino, 1980	He; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Apiezon L	100.	683.	Morishita, Okano, et al., 1980	Column length: 45. m; Column diameter: 0.25 mm
Packed	Squalane	100.	650.	Nabivach and Kirilenko, 1980	He, Chromaton N-AW-HMDS; Column length: 1. m
Capillary	Squalane	50.	637.4	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	642.2	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	637.2	Bajus, Veselý, et al., 1979, 2	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	642.5	Bajus, Veselý, et al., 1979, 2	Column length: 100. m; Column diameter: 0.25 mm
Packed	Triacontane	80.	651.	Castello and D'Amato, 1979	He, Chromosorb W AW (60-80 mesh); Column length: 3. m
Packed	Squalane	80.	652.	Castello and D'Amato, 1979	He, Chromosorb W AW (60-80 mesh); Column length: 3. m
Packed	Squalane	100.	648.	Gröbler and Bálizs, 1979	Column length: 1. m
Capillary	Squalane	86.	647.8	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	648.0	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	648.7	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	86.	649.0	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	70.	642.5	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	70.	642.9	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	70.	641.1	Drozd, Novák, et al., 1978	Column length: 10. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	641.4	Drozd, Novák, et al., 1978	Column length: 10. m; Column diameter: 0.25 mm
Capillary	Squalane	86.	648.	Nabivach, Bur'yan, et al., 1978	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	96.	650.2	Nabivach, Bur'yan, et al., 1978	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	636.8	Welsch, Engewald, et al., 1978	Column length: 80. m; Column diameter: 0.23 mm
Capillary	Apiezon M	120.	684.	Golovnya and Misharina, 1977
Capillary	Squalane	100.	650.	Engewald and Wennrich, 1976	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	100.	645.5	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	646.	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Packed	Apolane	70.	659.2	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Capillary	Squalane	60.	639.	Ryba, 1976	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	642.	Ryba, 1976	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	644.42	Soják and Rijks, 1976	H2; Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	40.	648.	Vylegzhanina and Keiser, 1976	Chromaton N-AW-GMDS; Column length: 1. m
Packed	SE-30	60.	647.	Vylegzhanina and Keiser, 1976	Chromaton N-AW-GMDS; Column length: 1. m
Packed	Squalane	100.	650.	Vernon and Edwards, 1975	N2, DCMS-treated Celite; Column length: 1. m
Packed	SE-30	150.	674.	Ashes and Haken, 1974	Celaton (62-72 mesh); Column length: 3.7 m
Capillary	Squalane	42.5	636.	Engewald, Epsch, et al., 1974	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	70.	644.	Engewald, Epsch, et al., 1974	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	50.	637.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	642.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	SE-30	65.	654.8	Svob, Deur-Siftar, et al., 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	SE-30	65.	654.8	Svob, Deur-Siftar, et al., 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	SE-30	65.	654.8	Svob, Deur-Siftar, et al., 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	SE-30	65.	654.7	Svob, Deur-Siftar, et al., 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	SE-30	65.	654.7	Svob, Deur-Siftar, et al., 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	SE-30	65.	654.8	Svob and Deur-Siftar, 1974	He; Column length: 25.5 m; Column diameter: 0.5 mm
Capillary	Squalane	100.	650.4	Svob and Deur-Siftar, 1974	He; Column length: 10.5 m; Column diameter: 0.25 mm
Capillary	Squalane	50.	638.	Gäumann and Bonzo, 1973	Column length: 100. m
Capillary	OV-101	50.	652.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	OV-101	50.	654.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	OV-101	60.	654.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	OV-101	60.	656.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	Squalane	100.	660.7	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	120.	649.	Agrawal, Tesarík, et al., 1972	N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Capillary	Squalane	86.	644.	Agrawal, Tesarík, et al., 1972	N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Capillary	Vacuum Grease Oil (VM-4)	35.	652.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	655.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	657.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	660.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	662.	Sidorov, Petrova, et al., 1972
Packed	Squalane	50.	640.0	Takács, Tálas, et al., 1972	N2, Chromosorb W; Column length: 3. m
Capillary	Squalane	70.	639.7	Dimov and Schopov, 1971	Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	75.	656.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m
Packed	Squalane	100.	648.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m
Packed	Squalane	50.	637.	Vernon, 1971	N2
Packed	Apiezon L	100.	685.	Wagaman and Smith, 1971	CH4; Column length: 3. m
Capillary	Squalane	80.	648.5	Wallaert, 1971	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	115.	653.6	Soják and Bucinská, 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Capillary	Squalane	86.	646.6	Soják and Bucinská, 1970	N2; Column length: 200. m; Column diameter: 0.2 mm
Packed	Apiezon L	100.	681.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Squalane	27.	634.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	640.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	645.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	649.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	680.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Apiezon L	120.	686.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Apiezon L	140.	694.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Apiezon L	80.	681.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 10. m
Packed	Squalane	100.	650.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Squalane	120.	655.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Squalane	140.	660.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Squalane	80.	645.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Squalane	22.	631.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	30.	632.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	40.	634.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	55.	643.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	70.	645.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Apiezon L	130.	691.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	662.	Buchin, Salmon, et al., 2002	60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min
Capillary	SE-54	650.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T_end: 250. C
Capillary	OV-101	642.	Hayes and Pitzer, 1982	110. m/0.25 mm/0.20 μm, He, 1. K/min; T_start: 35. C; T_end: 200. C
Capillary	Apiezon L	665.	Louis, 1971	N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	BP-1	647.	SGE, 2005	Program: not specified
Capillary	BP-5	667.	SGE, 2005	Program: not specified
Capillary	BPX-5	664.	SGE, 2005	Program: not specified
Capillary	HP-1	629.	Wongpornchai, Sriseadka, et al., 2003	30. m/0.25 mm/0.25 μm, He; Program: 35C => 2C/min => 100C => 5C/min => 230C(2min)
Capillary	Petrocol DH-100	649.7	Haagen-Smit Laboratory, 1997	He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)
Capillary	DB-1	649.	Hoekman, 1993	60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min
Packed	Apiezon M	681.3	Jalali-Heravi and Garkani-Nejad, 1993	Chromosorb W; Column length: 2. m; Program: not specified
Capillary	SPB-1	661.6	Castello, Timossi, et al., 1988	N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified
Capillary	Squalane	652.	Papazova and Pankova, 1975	N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified
Packed	SE-30	650.	Moffat, Stead, et al., 1974	Chromosrb G; Column length: 2. m; Program: not specified

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	160.	979.	Kurbatova, Finkelstein, et al., 2004	Chromaton N-AW; Column length: 1. m
Capillary	ZB-Wax	100.	979.4	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	ZB-Wax	120.	988.6	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	ZB-Wax	140.	999.5	Pérez-Parajón, Santiuste, et al., 2004	60. m/0.25 mm/0.25 μm
Capillary	DB-Wax	40.	947.77	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	50.	953.66	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	60.	963.67	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	70.	971.57	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	80.	980.53	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	90.	989.54	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	100.	998.62	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	DB-Wax	110.	1007.64	Ciaznska-Halarewicz and Kowalska, 2003	Column length: 30. m; Column diameter: 0.32 mm
Capillary	Carbowax 20M	150.	970.	Egazaryants and Maximov, 1998	He; Column length: 15. m; Column diameter: 0.5 mm
Capillary	Carbowax 20M	150.	971.	Egazaryants and Maximov, 1998	He; Column length: 15. m; Column diameter: 0.5 mm
Capillary	PEG-40M	150.	925.	Terenina, Zhuravieva, et al., 1997	50. m/0.3 mm/0.4 μm, He
Capillary	Supelcowax-10	60.	955.5	Castello, Vezzani, et al., 1994	30. m/0.32 mm/0.25 μm, He
Capillary	PEG-20M	80.	945.2	Orav, Kuningas, et al., 1994	50. m/0.2 mm/0.13 μm, He
Capillary	PEG-20M	80.	958.2	Orav, Kuningas, et al., 1994	50. m/0.2 mm/0.19 μm, He
Capillary	PEG-20M	80.	959.5	Orav, Kuningas, et al., 1994	50. m/0.2 mm/0.22 μm, He
Capillary	Supelcowax-10	60.	964.	Castello, Vezzani, et al., 1991	N2; Column length: 60. m; Column diameter: 0.75 mm
Packed	Carbowax 20M	120.	992.	Fernández-Sánchez, Fernández-Torres, et al., 1987	N2, Chromosorb W AW DMCS; Column length: 2. m
Packed	Carbowax 20M	80.	952.	Kersten and Poole, 1987	N2, Chromosorb W-AW; Column length: 3.5 m
Packed	Carbowax 20M	150.	971.	Haken and Vernon, 1986	Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm
Capillary	Carbowax 20M	100.	968.66	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	110.	972.80	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	120.	976.91	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	70.	957.21	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	80.	960.69	Podmaniczky, Szepesy, et al., 1985
Capillary	Carbowax 20M	90.	964.88	Podmaniczky, Szepesy, et al., 1985
Packed	PEG-20M	120.	979.	Stolyarov and Kartsova, 1984	N2, Chromaton N AW HMDS; Column length: 2. m
Capillary	PEG-20M	70.	954.5	Tóth, 1983	N2; Column length: 30. m; Column diameter: 0.3 mm
Packed	Carbowax 20M	100.	965.7	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Carbowax 20M	100.	973.3	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Carbowax 20M	100.	979.3	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Carbowax 20M	100.	982.6	Vernon and Suratman, 1983	He; Column length: 2. m
Packed	Carbowax 20M	100.	969.7	Vernon and Suratman, 1983, 2	He, A silanized white support; Column length: 2. m
Packed	Carbowax 20M	110.	974.2	Vernon and Suratman, 1983, 2	He, A silanized white support; Column length: 2. m
Packed	Carbowax 20M	120.	978.8	Vernon and Suratman, 1983, 2	He, A silanized white support; Column length: 2. m
Packed	Carbowax 20M	130.	983.4	Vernon and Suratman, 1983, 2	He, A silanized white support; Column length: 2. m
Packed	Carbowax 20M	150.	992.6	Vernon and Suratman, 1983, 2	He, A silanized white support; Column length: 2. m
Packed	Carbowax 20M	75.	959.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Capillary	PEG-20M	100.	955.	Morishita, Okano, et al., 1980	Column length: 75. m; Column diameter: 0.25 mm
Packed	Carbowax 20M	150.	967.0	Ellis and Still, 1979	Chromosorb W, AW-DMCS
Packed	Carbowax 20M	115.	972.6	Ellis and Still, 1979	Chromosorb G
Packed	Carbowax 20M	115.	973.4	Ellis and Still, 1979	Chromosorb G
Packed	Carbowax 20M	165.	985.7	Ellis and Still, 1979, 2	Chromosorb W, AW-DMCS
Capillary	Carbowax 20M	100.	947.2	Engewald and Wennrich, 1976	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Carbowax 20M	90.	933.4	Döring, Estel, et al., 1974	Column length: 100. m; Column diameter: 0.2 mm
Packed	PEG-2000	150.	987.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	152.	978.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	179.	1005.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	180.	991.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	200.	1000.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-20M	150.	970.	Tibor and Anna, 1971	N2, Chromosorb W-AW; Column length: 2. m
Packed	PEG-20M	170.	985.	Tibor and Anna, 1971	N2, Chromosorb W-AW; Column length: 2. m
Packed	Polyethylene Glycol 4000	100.	974.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	120.	981.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	140.	987.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	80.	967.	Bonastre and Grenier, 1967	Chromosorb P; Column length: 6. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	924.	Umano and Shibamoto, 1987	He, 40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	BP-20	947.	SGE, 2005	Program: not specified
Capillary	PEG-20M	953.	Slizhov and Gavrilenko, 2001	He; Column length: 10. m; Column diameter: 0.2 mm; Program: not specified
Capillary	Supelcowax-10	967.7	Castello, Timossi, et al., 1988	N2; Column length: 60. m; Column diameter: 0.75 mm; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SPB-5	663.	Engel and Ratel, 2007	60. m/0.32 mm/1. μm, 40. C @ 2. min, 3. K/min, 230. C @ 10. min
Capillary	CP-Sil 8CB-MS	654.	Elmore, Cooper, et al., 2005	0. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	HP-5	662.	Insausti, Goñi, et al., 2005	50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min
Capillary	CP-Sil 8CB-MS	663.	Hierro, de la Hoz, et al., 2004	60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	Petrocol DH	647.5	Censullo, Jones, et al., 2003	50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	HP-5	648.	Isidorov, Vinogorova, et al., 2003	25. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 150. C
Capillary	SPB-1	638.32	LECO Corporation, 2003	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
Capillary	SPB-1	638.98	LECO Corporation, 2003	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
Capillary	DB-5	654.8	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	653.8	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; T_end: 310. C
Capillary	DB-5	654.2	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	654.8	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	656.1	Song, Lai, et al., 2003	30. m/0.25 mm/0.25 μm, He, 6. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	660.6	Xu, van Stee, et al., 2003	30. m/0.25 mm/1. μm, He, 2.5 K/min; T_start: 50. C; T_end: 200. C
Capillary	DB-5	648.	Dallüge, van Stee, et al., 2002	30. m/0.25 mm/1. μm, He, 2.5 K/min; T_start: 50. C; T_end: 200. C
Capillary	OV-101	645.0	Yin, Liu, et al., 2001	N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; T_start: 30. C; T_end: 130. C
Capillary	CP Sil 8 CB	658.	Yassaa, Meklati, et al., 1999	25. m/0.2 mm/0.25 μm, 40. C @ 8. min, 2. K/min; T_end: 200. C
Capillary	DB-1	639.	Beens, Tijssen, et al., 1998	10. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 30. C; T_end: 225. C
Capillary	DB-5	664.	Madruga and Mottram, 1998	30. m/0.32 mm/1. μm, 60. C @ 5. min, 4. K/min, 250. C @ 20. min
Capillary	SE-54	654.1	Kivi-Etelätalo, Kostiainen, et al., 1997	50. m/0.32 mm/1. μm, He, 40. C @ 2. min, 10. K/min, 220. C @ 5. min
Capillary	PONA	638.6	Martos, Saraullo, et al., 1997	50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
Capillary	PONA	640.7	Martos, Saraullo, et al., 1997	50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min
Capillary	DB-1	645.	DeMilo, Lee, et al., 1996	30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 250. C
Capillary	DB-1	645.	DeMilo, Lee, et al., 1996	30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 250. C
Capillary	DB-1	646.	DeMilo, Lee, et al., 1996	30. m/0.248 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min; T_end: 250. C
Capillary	OV-1	643.1	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-1	640.5	Helmig, Pollock, et al., 1996	30. m/0.25 mm/1. μm, 6. K/min; T_start: -50. C; T_end: 180. C
Capillary	DB-5	660.1	Helmig, Pollock, et al., 1996	60. m/0.33 mm/0.25 μm, 6. K/min; T_start: -50. C; T_end: 180. C
Capillary	DB-5	654.2	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	654.8	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	656.1	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 6. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	654.8	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 40. C; T_end: 310. C
Capillary	DB-5	653.8	Lai and Song, 1995	30. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 4. K/min; T_end: 310. C
Capillary	Petrocol DH	641.77	Subramaniam, Bochniak, et al., 1994	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	Petrocol DH	641.83	Subramaniam, Bochniak, et al., 1994	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	DB-1	630.	Yu, Lin, et al., 1994	60. m/0.25 mm/1.0 μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min
Capillary	Ultra-1	644.	Olson, Sinkevitch, et al., 1992	4. K/min; T_start: -40. C; T_end: 230. C
Capillary	DB-1	654.	Peng, Hua, et al., 1992	30. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; T_end: 280. C
Capillary	Petrocol DH	641.72	White, Douglas, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	Petrocol DH	642.	White, Douglas, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	Petrocol DH	642.	White, Hackett, et al., 1992	100. m/0.25 mm/0.5 μm, He, 1. K/min; T_start: 30. C; T_end: 220. C
Capillary	DB-5	654.	Morinaga, Hara, et al., 1990	15. m/0.53 mm/1.5 μm, He, 4. K/min; T_start: 40. C; T_end: 90. C
Capillary	HP-1	651.4	Bangjie, Xijian, et al., 1987	N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_start: 30. C
Capillary	HP-1	648.9	Bangjie, Xijian, et al., 1987	N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_start: 30. C
Capillary	HP-1	648.	Bangjie, Xijian, et al., 1987	N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm
Capillary	Ultra-1	640.61	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 1. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-1	643.07	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 2. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-1	644.46	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 3. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	655.57	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 1. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	658.13	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 2. K/min; T_start: -30. C; T_end: 240. C
Capillary	Ultra-2	659.63	Haynes and Pitzer, 1985	50. m/0.22 mm/0.33 μm, He, 3. K/min; T_start: -30. C; T_end: 240. C
Packed	SE-30	654.	Buchman, Cao, et al., 1984	He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
Capillary	OV-1	645.26	Knoppel, de Bortoli, et al., 1983	35. C @ 5. min; Column length: 50. m; Column diameter: 0.2 mm; T_end: 280. C
Capillary	OV-1	642.7	Knoppel, de Bortoli, et al., 1983	35. C @ 5. min; Column length: 25. m; Column diameter: 0.31 mm; T_end: 280. C
Capillary	OV-1	646.	Knoppel, de Bortoli, et al., 1982	24. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; T_end: 250. C
Capillary	OV-1	647.11	Knoppel, de Bortoli, et al., 1982	30. m/0.3 mm/1.1 μm, 35. C @ 5. min, 4. K/min; T_end: 250. C
Capillary	OV-101	642.	Hayes and Pitzer, 1981	108. m/0.25 mm/0.2 μm, 1. K/min; T_start: 35. C; T_end: 200. C
Packed	OV-101	650.	Nixon, Wong, et al., 1979	Gas-Chrom Q, 2. K/min; Column length: 2.5 m; T_start: 50. C; T_end: 220. C
Capillary	OV-1	648.	Schreyen, Dirinck, et al., 1976	1. K/min; Column length: 183. m; Column diameter: 0.762 mm; T_start: 0. C; T_end: 230. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	659.	Duckham, Dodson, et al., 2001	60. m/0.25 mm/0.25 μm; Program: 0C => rapidly => 40C(8min) => 4C/min => 250C(10min)
Capillary	DB-1	630.	Peng, 2000	15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
Capillary	Methyl Silicone	640.20	Hassoun, Pilling, et al., 1999	50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min)
Packed	SE-30	654.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)
Packed	SE-30	654.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	936.	Alasalvar, Taylor, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; T_end: 203. C
Capillary	Supelcowax-10	940.	Elmore, Nisyrios, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; T_end: 280. C
Capillary	Carbowax	954.	Censullo, Jones, et al., 2003	60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
Capillary	CP-Wax 52CB	942.	Liu, Yang, et al., 2001	H2, 2. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 50. C; T_end: 200. C
Capillary	DB-Wax	943.	Peng, 2000	15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
Capillary	HP-Wax	947.	Peng, 2000	15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
Capillary	FFAP	939.	Ott, Fay, et al., 1997	30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
Capillary	DB-Wax	938.	Shimoda, Peralta, et al., 1996	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	940.	Sumitani, Suekane, et al., 1994	He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	DB-Wax	947.	Peng, Hua, et al., 1992	30. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min
Capillary	Supelcowax-10	938.	Matiella and Hsieh, 1990	60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min
Capillary	CP-WAX 57CB	926.	Baltes and Mevissen, 1988	He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; T_end: 210. C
Packed	Carbowax 20M	965.	Buchman, Cao, et al., 1984	He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	936.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	938.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 10C/min => 120C => 15C/min => 200C (1min)
Capillary	Supelcowax-10	938.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	938.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	CP-Wax 52CB	930.	Madruga and Mottram, 1998	50. m/0.32 mm/0.21 μm; Program: 0C(5min) => fast => 60C(5min) => 4C/min => 220C(20min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Polydimethyl siloxane	105.	663.	Tello, Lebron-Aguilar, et al., 2009
Capillary	Polydimethyl siloxane	75.	657.	Tello, Lebron-Aguilar, et al., 2009
Capillary	Polydimethyl siloxane	90.	660.	Tello, Lebron-Aguilar, et al., 2009
Packed	Polydimethyl siloxane	120.	667.	Tello, Lebron-Aguilar, et al., 2009
Packed	Polydimethyl siloxane	120.	668.	Tello, Lebron-Aguilar, et al., 2009
Packed	Polydimethyl siloxane	120.	668.	Tello, Lebron-Aguilar, et al., 2009
Capillary	Methyl Silicone	100.	662.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	668.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	140.	672.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	80.	658.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	668.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	668.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	668.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	678.	Chen and Feng, 2006
Capillary	OV-101	40.	654.	Li and Deng, 1998	N2; Column length: 51. m; Column diameter: 0.25 mm
Capillary	OV-101	100.	663.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	100.	664.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	120.	670.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	120.	670.	Tian, 1993	Column length: 50. m; Column diameter: 0.20 mm
Capillary	OV-101	102.	656.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	OV-101	106.	657.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	OV-101	110.	658.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	OV-101	114.	659.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	OV-101	94.	654.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	OV-101	98.	655.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	OV-101	98.	655.	Wang, Deng, et al., 1992	Column length: 23. m; Column diameter: 0.50 mm
Capillary	Methyl Silicone	50.	638.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm
Capillary	OV-101	50.	651.	Wu and Lu, 1984
Capillary	OV-101	70.	655.	Wu and Lu, 1984
Capillary	E-301	100.	670.	Bermejo, Moinelo, et al., 1980	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	652.	Bermejo, Moinelo, et al., 1980	N2; Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	95.4	638.	Sojak and Vigdergauz, 1978	H2
Capillary	Squalane	110.	650.	Papazova and Pankova, 1975	N2; Column length: 100. m; Column diameter: 0.25 mm
Packed	Apiezon L	100.	682.	Kavan, 1973	Column length: 3.2 m
Capillary	Squalane	86.	635.	Vigdergauz and Martynov, 1971	He; Column length: 150. m; Column diameter: 0.35 mm
Packed	DC-400	150.	658.	Anderson, 1968	Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m
Packed	Squalane	125.	655.	Cremer and Nonn, 1964	H2, Chromosorb W (80-100 mesh); Column length: 3. m
Packed	Polydimethyl siloxane	110.	654.	Ferrand, 1962

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	SE-30	660.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	648.	Bramston-Cook, 2013	60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
Capillary	HP-5 MS	653.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
Capillary	Petrocol DH	643.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	Ultra-ALLOY-5	653.	Tsuge, Ohtan, et al., 2011	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min
Capillary	ZB-5	657.	Harrison and Priest, 2009	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
Capillary	PONA	637.	Zhang, Ding, et al., 2009	50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min
Capillary	SPB-5	661.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	OV-101	657.	Zenkevich, Eliseenkov, et al., 2006	Nitrogen, 6. K/min, 240. C @ 10. min; Column length: 25. m; Column diameter: 0.20 mm; T_start: 60. C
Capillary	SPB-5	646.	Pino, Marbot, et al., 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	OV-101	656.	Zenkevich, Makarov, et al., 2005	25. m/0.25 mm/0.20 μm, Nitrogen, 60. C @ 0. min, 8. K/min, 240. C @ 0. min
Capillary	HP-5	653.	Isidorov and Jdanova, 2002	3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 50. C; T_end: 200. C
Capillary	SPB-5	661.	Poligné, Collignan, et al., 2001	60. m/0.32 mm/1. μm, He, 3. K/min; T_start: 40. C; T_end: 200. C
Capillary	BP-1	652.	Health Safety Executive, 2000	50. m/0.22 mm/0.75 μm, He, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	DB-5MS	645.3	Shoenmakers, Oomen, et al., 2000	30. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min; T_end: 250. C
Capillary	Methyl Silicone	638.83	Baraldi, Rapparini, et al., 1999	60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; T_end: 220. C
Capillary	HP-5	667.	Jung, Wichmann, et al., 1999	25. m/0.20 mm/0.33 μm, 50. C @ 3. min, 5. K/min; T_end: 180. C
Capillary	OV-101	649.	Orav, Kailas, et al., 1999	50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; T_end: 100. C
Capillary	DB-1	648.	Barrefors, Björkqvist, et al., 1996	50. m/0.32 mm/1. μm, 3. K/min; T_start: -30. C
Capillary	SE-54	661.	Huang, Liang, et al., 1996	36. m/0.25 mm/0.25 μm, 5. K/min; T_start: 35. C; T_end: 240. C
Capillary	HP-5	671.3	Wang and Fingas, 1995	30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min
Capillary	DB-1	649.	Ciccioli, Cecinato, et al., 1992	60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; T_end: 240. C
Capillary	OV-1	638.	Guan, Zheng, et al., 1992	50. m/0.32 mm/0.52 μm, H2, 1. K/min; T_start: 30. C
Capillary	OV-1	640.	Guan, Zheng, et al., 1992	50. m/0.32 mm/0.52 μm, H2, 2. K/min; T_start: 35. C
Capillary	CP Sil 5 CB	640.	Hartgers, Damste, et al., 1992	25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min
Capillary	OV-101	653.	Zenkevich and Ventura, 1991	Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm
Capillary	DB-1	644.	Binder, Benson, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	DB-1	647.	Binder, Turner, et al., 1990	4. K/min, 230. C @ 10. min; T_start: 50. C
Capillary	HP-5	640.	Spadone, Takeoka, et al., 1990	H2, 16. K/min; Column length: 50. m; Column diameter: 0.3 mm; T_start: 80. C; T_end: 250. C
Capillary	DB-1	642.	Binder, Flath, et al., 1989	4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	DB-1	643.	Binder and Flath, 1989	50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	OV-1	640.5	Durand, Boscher, et al., 1987	50. m/0.2 mm/0.52 μm, He, 35. C @ 10. min, 1.1 K/min; T_end: 150. C
Capillary	DB-1	644.	Habu, Flath, et al., 1985	3. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_start: 0. C; T_end: 250. C
Capillary	OV-101	641.	del Rosario, de Lumen, et al., 1984	He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; T_end: 225. C
Capillary	SE-30	642.	Heydanek and McGorrin, 1981	40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; T_end: 170. C
Capillary	SE-30	641.	Heydanek and McGorrin, 1981, 2	He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; T_end: 170. C
Packed	Apiezon L	663.	Dahlmann, Köser, et al., 1979	Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; T_start: 25. C
Capillary	OV-1	648.	Schreyen, Dirinck, et al., 1979	N2, 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; T_start: 0. C; T_end: 230. C
Capillary	SF-96	652.	Donetzhuber, Johansson, et al., 1976	Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	657.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-5	642.	Yusuf and Bewaji, 2011	Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-5	642.	Yusuf and Bewaji, 2011, 2	Helium; Column length: 30. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Nonpolar	655.	Staples and Zeiger, 2008	Program: not specified
Capillary	DB-5 MS	661.	Liu, Xu, et al., 2007	60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 6 0C/min -> 100 0C 4 0C/min -> 180 0C 8 0C/min -> 250 0C (12 min)
Capillary	OV-101	670.	Ebrahimi and Hadjmohammadi, 2006	Program: not specified
Capillary	Methyl Silicone	651.	Blunden, Aneja, et al., 2005	60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
Capillary	Apiezon L	686.	Finkelstein, Kurbatova, et al., 2002	Program: not specified
Capillary	Methyl phenyl siloxane (not specified)	662.	Poligne, Collignan, et al., 2002	Program: not specified
Capillary	BP-1	639.25	Cooke, Hassoun, et al., 2001	50. m/0.25 mm/1. μm, He; Program: -50C => 49.9C/min => 5C(3min) => 3C/min => 50C => 5C/min => 220C(20 min)
Capillary	CP Sil 8 CB	663.	Duckham, Dodson, et al., 2001	60. m/0.25 mm/0.25 μm; Program: not specified
Capillary	DB-5 MS	671.	Luo and Agnew, 2001	30. m/0.25 mm/1.0 μm, Helium; Program: not specified
Capillary	OV-101	664.	Zhu and Wang, 2001	Program: not specified
Capillary	DB-1	654.	Zhu and Wang, 2001	Program: not specified
Capillary	Methyl Silicone	649.	Spieksma, 1999	Program: not specified
Capillary	Methyl Silicone	657.	Zenkevich, 1998	Program: not specified
Capillary	SPB-1	655.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	DB-1	654.	Peng, 1996	30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
Capillary	SE-30	657.	Xiuhua, Zhang, et al., 1996	Program: not specified
Capillary	SE-30	664.	Xiuhua, Zhang, et al., 1996	Program: not specified
Capillary	Methyl Silicone	657.	Zenkevich, 1996	Program: not specified
Capillary	DB-5	674.	Sorimachi, Tanabe, et al., 1995	He; Column length: 30. m; Program: not specified
Capillary	Methyl Silicone	643.	Xu, Chu, et al., 1995	Program: not specified
Capillary	DB-1	640.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	DB-1	651.	Schuberth, 1994	30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C
Capillary	DB-1	640.	Ciccioli, Brancaleoni, et al., 1993	60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min
Capillary	SE-30	658.	Lou, Liu, et al., 1993	Column diameter: 0.25 mm; Program: not specified
Capillary	SPB-1	665.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	660.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	OV-1	648.6	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C 2)2nd 30m column isothermal 100C
Capillary	OV-1	658.	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 4C/min 60-120C. 2) 2nd 30m column isothermal 120C.
Capillary	OV-1	663.5	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1) 1st 30m column temp ramp 6C/min 60-120C. 2) 2nd 30m column isothermal 120C.
Capillary	OV-1	664.6	Engewald and Maurer, 1990	Column length: 60. m; Column diameter: 0.32 mm; Program: 1)1st 30m column temp ramp 3C/min 60-120 2)2nd 30m column isothermal 120C
Capillary	DB-1	644.	Binder, Flath, et al., 1989	Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-1	644.	Binder and Flath, 1989	Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Squalane	650.4	Dimov and Mekenyan, 1989	Program: not specified
Capillary	CP Sil 8 CB	663.	Weller and Wolf, 1989	40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillary	DB-1	634.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	DB-1	644.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	SE-30	665.	P'yanova, Zvereva, et al., 1987	Column length: 25. m; Column diameter: 0.25 mm; Program: not specified
Capillary	SE-52	666.	van Langenhove and Schamp, 1986	Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
Capillary	OV-1	669.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	653.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	673.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1	660.	Ramsey and Flanagan, 1982	Program: not specified
Capillary	SE-30	644.	Heydanek and McGorrin, 1981, 2	He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min)
Packed	SE-30	665.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	645.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
Packed	SE-30	665.	Robinson and Odell, 1971, 2	Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C)
Packed	Squalane	645.	Robinson and Odell, 1971, 2	Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Carbowax 20M	100.	975.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	120.	982.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	140.	994.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	60.	956.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	80.	965.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	PEG-40M	100.	959.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	100.	960.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	120.	965.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	60.	947.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	PEG-40M	80.	952.	Nesterov, Nesterova, et al., 2000	Column length: 50. m
Capillary	Carbowax 20M	90.	933.	Sutter, Peterson, et al., 1997

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	957.	Shimadzu, 2012	30. m/0.32 mm/0.50 μm, Helium, 4. K/min; T_start: 40. C; T_end: 260. C
Capillary	DB-Wax	937.	Ganeko, Shoda, et al., 2008	4. K/min; Column length: 60. m; Column diameter: 0.35 mm; T_start: 40. C; T_end: 200. C
Capillary	DB-Wax	955.	Chida, Sone, et al., 2004	60. m/0.25 mm/0.5 μm, 35. C @ 5. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	957.	Shimadzu Corporation, 2003	30. m/0.32 mm/0.5 μm, He, 4. K/min; T_start: 40. C; T_end: 260. C
Capillary	Carbowax 20M	983.	Kasali, Winterhalter, et al., 2002	30. m/0.25 mm/0.325 μm, He, 4. K/min, 215. C @ 20. min; T_start: 50. C
Capillary	DB-Wax	934.	Duque, Bonilla, et al., 2001	30. m/0.25 mm/0.25 μm, Helium, 4. K/min, 220. C @ 30. min; T_start: 25. C
Capillary	DB-Wax	932.	Horiuchi, Umano, et al., 1998	60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; T_start: 50. C
Capillary	DB-Wax	938.	Umano, Hagi, et al., 1995	He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 200. C
Capillary	Carbowax 20M	930.	Herain, MRAVEC, et al., 1991	70. C @ 21. min, 5. K/min, 150. C @ 999. min
Capillary	DB-Wax	937.	Binder, Benson, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	DB-Wax	937.	Binder, Turner, et al., 1990	4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm; T_start: 50. C
Capillary	DB-Wax	938.	Binder, Flath, et al., 1989	50. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	DB-Wax	937.	Binder and Flath, 1989	50. C @ 0.1 min, 4. K/min, 250. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SOLGel-Wax	938.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 5 0C/min -> 140 0C 10 0C/min -> 250 0C (3 min)
Capillary	SOLGel-Wax	936.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Supelko CO Wax	951.	Vekiari, Orepoulou, et al., 2010	60. m/0.32 mm/0.25 μm, Helium; Program: 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min)
Capillary	Supelcowax-10	936.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	938.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	HP-Innowax	924.	Narain, Galvao, et al., 2007	30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (5 min) 5 0C/min -> 100 0C (5 min) 1 0C/min -> 130 0C 10 0C/min -> 195 0C (45 min)
Capillary	Carbowax 20M	979.	Finkelstein, Kurbatova, et al., 2002	Program: not specified
Capillary	DB-Wax	947.	Peng, 1996	30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
Capillary	PEG-20M	954.	Xiuhua, Zhang, et al., 1996	Program: not specified
Capillary	DB-Wax	947.	Peng, Yang, et al., 1991	Program: not specified
Capillary	DB-Wax	950.	Peng, Yang, et al., 1991	Program: not specified
Capillary	DB-Wax	937.	Binder, Flath, et al., 1989	Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
Capillary	DB-Wax	937.	Binder and Flath, 1989	Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	935.	Dimov and Mekenyan, 1989	Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	959.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	965.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	948.	Ramsey and Flanagan, 1982	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Notes

Roux, Temprado, et al., 2008
Roux, M.V.; Temprado, M.; Chickos, J.S.; Nagano, Y., Critically Evaluated Thermochemical Properties of Polycyclic Aromatic Hydrocarbons, J. Phys. Chem. Ref. Data, 2008, 37, 4, 1855-1996. [all data]

Good and Smith, 1969
Good, W.D.; Smith, N.K., Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane, J. Chem. Eng. Data, 1969, 14, 102-106. [all data]

Prosen, Gilmont, et al., 1945
Prosen, E.J.; Gilmont, R.; Rossini, F.D., Heats of combustion of benzene, toluene, ethyl-benzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene, J. Res. NBS, 1945, 34, 65-70. [all data]

Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D., Heats of combustion and formation at 25°C of the alkylbenzenes through C₁₀H₁₄, and of the higher normal monoalkylbenzenes, J. Res. NBS, 1946, 36, 455-461. [all data]

Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R., Etude thermochimique dans la serie furanique, Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Todd S.S., 1978
Todd S.S., Vapor-flow calorimetry of benzene, J. Chem. Thermodyn., 1978, 10, 641-648. [all data]

Montgomery J.B., 1942
Montgomery J.B., The heat capacity of organic vapors. IV. Benzene, fluorobenzene, toluene, cyclohexane, methylcyclohexane and cyclohexene, J. Am. Chem. Soc., 1942, 64, 2375-2377. [all data]

Pitzer K.S., 1943
Pitzer K.S., The thermodynamics and molecular structure of benzene and its methyl derivatives, J. Am. Chem. Soc., 1943, 65, 803-829. [all data]

Scott D.W., 1947
Scott D.W., The heat capacity of benzene vapor. The contribution of anharmonicity, J. Chem. Phys., 1947, 15, 565-568. [all data]

Oliver, Eaton, et al., 1948
Oliver, G.D.; Eaton, M.; Huffman, H.M., The heat capacity, heat of fusion and entropy of benzene, J. Am. Chem. Soc., 1948, 70, 1502-1505. [all data]

Huffman, Parks, et al., 1930
Huffman, H.M.; Parks, G.S.; Daniels, A.C., Thermal data on organic compounds. VII. The heat capacities, entropies and free energies of twelve aromatic hydrocarbons, J. Am. Chem. Soc., 1930, 52, 1547-1558. [all data]

Ahlberg, Blanchard, et al., 1937
Ahlberg, J.E.; Blanchard, E.R.; Lundberg, W.O., The heat capacities of benzene, methyl alcohol and glycerol at very low temperatures, J. Chem. Phys., 1937, 5, 537-551. [all data]

Grolier, Roux-Desgranges, et al., 1993
Grolier, J.-P.E.; Roux-Desgranges, G.; Berkane, M.; Jimenez, E.; Wilhelm, E., Heat capacities and densities of mixtures of very polar substances 2. Mixtures containing N,N-dimethylformamide, J. Chem. Thermodynam., 1993, 25(1), 41-50. [all data]

Czarnota, 1991
Czarnota, I., Heat capacity of benzene at high pressures, J. Chem. Thermodynam., 1991, 23, 25-30. [all data]

Lainez, Rodrigo, et al., 1989
Lainez, A.; Rodrigo, M.M.; Wilhelm, E.; Grolier, J.-P.E., Excess volumes and excess heaat capacitiies of some mixtures with trans,trans,cis-1,5,9-cyclododecatriene at 298.15K, J. Chem. Eng. Data, 1989, 34, 332-335. [all data]

Shiohama, Ogawa, et al., 1988
Shiohama, Y.; Ogawa, H.; Murakami, S.; Fujihara, I., Excess molar isobaric heat capacities and isentropic compressibilities of (cis- or trans-decalin + benzene or toluene or iso-octane or n-heptane) at 298.15 K, J. Chem. Thermodynam., 1988, 20, 1183-1189. [all data]

Grolier, Roux-Desgranges, et al., 1987
Grolier, J.-P.E.; Roux-Desgranges, G.; Kooner, Z.S.; Smith, J.F.; Hepler, L.G., Thermal and volumetric properties of chloroform + benzene mixtures and the ideal associated solution model of complex formation, J. Solution Chem., 1987, 16, 745-752. [all data]

Kalali, Kohler, et al., 1987
Kalali, H.; Kohler, F.; Svejda, P., Excess properties of the mixture bis(2-dichlorethyl)ether (chlorex) + 2,2,4-trimethylpentane (isooctane), Monatsh. Chem., 1987, 118, 1-18. [all data]

Tanaka, 1987
Tanaka, R., Excess heat capacities for mixture of benzene with n-heptane at 293.15, 298.15 and 303.15 K, J. Chem. Eng. Data, 1987, 32, 176-177. [all data]

Naziev, Bashirov, et al., 1986
Naziev, Ya.M.; Bashirov, M.M.; Badalov, Yu.A., Experimental device for measurement of isobaric specific heat of electrolytes at elevated pressures, Inzh-Fiz. Zhur., 1986, 51(5), 789-795. [all data]

Reddy, 1986
Reddy, K.S., Isentropic compressibilities of binary liquid mixtures at 303.15 and 313.15 K, J. Chem. Eng. Data, 1986, 31, 238-240. [all data]

Ogawa and Murakami, 1985
Ogawa, H.; Murakami, S., Flow microcalorimeter for heat capacities of solutions, Thermochim. Acta, 1985, 88, 255-260. [all data]

Tanaka, 1985
Tanaka, R., Excess heat capacities for mixtures of benzene with cyclopentane, methylcyclohexane, and cyclooctane at 298.15 K, J. Chem. Eng. Data, 1985, 30, 267-269. [all data]

Gorbunova, Simonov, et al., 1983
Gorbunova, N.I.; Simonov, V.M.; Shipova, V.A., Thermodynamic properties of benzene, Teplofiz. Vys. Temp., 1983, 21(2), 270-275. [all data]

Gorbunova, Grigoriev, et al., 1982
Gorbunova, N.I.; Grigoriev, V.A.; Simonov, V.M.; Shipova, V.A., Heat capacity of liquid benzene and hexafluorobenzene at atmospheric pressure, Int. J. Thermophysics, 1982, 3, 1-15. [all data]

Grolier, Inglese, et al., 1982
Grolier, J.-P.E.; Inglese, A.; Wilhelm, E., Excess volumes and excess heat capacities of tetrachloroethene + cyclohexane, + methylcyclohexane, + benzene, and + toluene at 298.15 K, J. Chem. Thermodynam., 1982, 14, 523-529. [all data]

Tanaka, 1982
Tanaka, R., Determination of excess heat capacities of (benzene + tetrachloromethane and + cyclohexane) between 293.15 and 303.15 K by use of a Picker flow calorimeter, J. Chem. Thermodynam., 1982, 14, 259-268. [all data]

Wilhelm, Faradjzadeh, et al., 1982
Wilhelm, E.; Faradjzadeh, A.; Grolier, J.-P.E., Excess volumes and excess heat capacities of 2,3-dimethylbutane + butane and + toluene, J. Chem. Thermodynam., 1982, 14, 1199-1200. [all data]

Atalla, El-Sharkawy, et al., 1981
Atalla, S.R.; El-Sharkawy, A.A.; Gasser, F.A., Measurement of thermal properties of liquids with an AC heated-wire technique, Inter. J. Thermophys., 1981, 2(2), 155-162. [all data]

Vesely, Zabransky, et al., 1979
Vesely, F.; Zabransky, M.; Svoboda, V.; Pick, J., The use of mixing calorimeter for measuring heat capacities of liquids, Coll. Czech. Chem. Commun., 1979, 44, 3529-3532. [all data]

Grolier, Wilhelm, et al., 1978
Grolier, J.-P.E.; Wilhelm, E.; Hamedi, M.H., Molar heat capacities and isothermal compressibility of binary liquid mixtures: carbon tetrachloride + benzene, carbon tetrachloride + cyclohexane and benzene + cyclohexane, Ber. Bunsenges. Phys. Chem., 1978, 82, 1282-1290. [all data]

Vesely, Svoboda, et al., 1977
Vesely, F.; Svoboda, V.; Pick, J., Heat capacities of some organic liquids determined with the mixing calorimeter, 1st Czech. Conf. Calorimetry (Lect. Short Commun.), 1977, C9-1-C9-4. [all data]

Wilhelm, Grolier, et al., 1977
Wilhelm, E.; Grolier, J.-P.E.; Karbalai Ghassemi, M.H., Molar heat capacities of binary liquid mixtures: 1,2-dichloroethane + benzene, + toluene, and + p-xylene, Ber. Bunsenges. Phys. Chem., 1977, 81, 925-930. [all data]

Fortier, Benson, et al., 1976
Fortier, J.-L.; Benson, G.C.; Picker, P., Heat capacities of some organic liquids determined with the Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 289-299. [all data]

Fortier and Benson, 1976
Fortier, J.-L.; Benson, G.C., Excess heat capacities of binary liquid mixtures determined with a Picker flow calorimeter, J. Chem. Thermodynam., 1976, 8, 411-423. [all data]

Rajagopal and Subrahmanyam, 1974
Rajagopal, E.; Subrahmanyam, S.V., Excess function of VE,(dVE/dp)T, and CpE of isooctane + benzene and + toluene, J. Chem. Thermodynam., 1974, 6, 873-876. [all data]

Deshpande and Bhatagadde, 1971
Deshpande, D.D.; Bhatagadde, L.G., Heat capacities at constant volume, free volumes, and rotational freedom in some liquids, Aust. J. Chem., 1971, 24, 1817-1822. [all data]

Hyder Khan and Subrahmanyam, 1971
Hyder Khan, V.; Subrahmanyam, S.V., Excess thermodynamic functions of the systems: benzene + p-xylene and benzene + p-dioxan, Trans. Faraday Soc., 1971, 67, 2282-2291. [all data]

Subrahmanyam and Khan, 1969
Subrahmanyam, S.V.; Khan, V.H., Thermodynamics of the system benzene - p-dioxane, Curr. Sci., 1969, 38, 510-511. [all data]

Recko, 1968
Recko, W.M., Excess heat capacity of the binary systems formed by n-propyl alcohol with benzene, mesitylene and cyclohexane, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1968, 16, 549-552. [all data]

Pacor, 1967
Pacor, P., Applicability of the DuPont 900 DTA apparatus in quantitative differential thermal analysis, Anal. Chim. Acta, 1967, 37, 200-208. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Findenegg, Gruber, et al., 1965
Findenegg, G.H.; Gruber, K.; Pereira, J.F.; Kohler, F., Kalorimetrische Messungen an Mischungen von Nichtelektrolyten, 1. Mitt.: Molwarme des Systems 1,2-Dibromathan-Benzol, Monatsh. Chem., 1965, 96, 669-678. [all data]

Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N., Isotopic effect in the specific heat of some deutero compounds, Dokl. Akad. Nauk, 1962, SSSR 142, 1335-1338. [all data]

Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heat in homologous series of binary and ternary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]

Duff and Everett, 1956
Duff, G.M.; Everett, D.H., The heat capacity of the system benzene + diphenylmethane, Trans. Faraday Soc., 1956, 52, 753-763. [all data]

Staveley, Tupman, et al., 1955
Staveley, L.A.K.; Tupman, W.I.; Hart, K.R., Some thermodynamice properties of the systems benzene + ethylene dichloride, benzene + carbon tetrachloride, acetone + chloroform, and acetone + carbon disulphide, Trans. Faraday Soc., 1955, 51, 323-342. [all data]

Sieg, Crtzen, et al., 1951
Sieg, L.; Crtzen, J.L.; Jost, W., Zur Thermodynamik von Mischphasen IX. Über das Verdampfungsgleichgewicht Benzol-1-2-Dichloraethan, Z. Phys. Chem., 1951, 198, 263-269. [all data]

Tschamler, 1948
Tschamler, H., Uber binare flussige Mischungen I. Mischungswarment, Volumseffekte und Zustandsdiagramme von chlorex mit benzol und n-alkylbenzolen, Monatsh. Chem., 1948, 79, 162-177. [all data]

Kurbatov, 1947
Kurbatov, V.Ya., Specific heat of liquids. I. Specific heat of benzenoid hydrocarbons, Zhur. Obshch. Khim., 1947, 17, 1999-2003. [all data]

Zhdanov, 1941
Zhdanov, A.K., Specific heats of some liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]

Burlew, 1940
Burlew, J.S., Measurement of the heat capacity of a small volume of liquid by the piezo-thermometric method. III. Heat capacity of benzene and of toluene from 8°C. to the boiling point, J. Am. Chem. Soc., 1940, 62, 696-700. [all data]

Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W., Specific heat of liquids. II., Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]

de Kolossowsky and Udowenko, 1933
de Kolossowsky, N.A.; Udowenko, W.W., Mesure des chaleurs specifique moleculaires de quelques liquides, Compt. rend., 1933, 197, 519-520. [all data]

Ferguson and Miller, 1933
Ferguson, A.; Miller, J.T., A method for the determination of the specific heats of liquids, and a determination of the specific heats of aniline and benzene over the approximate range 20°C to 50°C, Proc. Phys. Soc. London, 1933, 45, 194-207. [all data]

Richards and Wallace, 1932
Richards, W.T.; Wallace, J.H., Jr., The specific heats of five organic liquids from their adiabatic temperature-pressure coefficients, J. Am. Chem. Soc., 1932, 54, 2705-2713. [all data]

Fiock, Ginnings, et al., 1931
Fiock, E.F.; Ginnings, D.C.; Holton, W.B., Calorimetric determinations of thermal properties of methyl alcohol, ethyl alcohol, and benzene, J. Res., 1931, NBS 6, 881-900. [all data]

Andrews, Lynn, et al., 1926
Andrews, D.H.; Lynn, G.; Johnston, J., The heat capacities and heat of crystallization of some isomeric aromatic compounds, J. Am. Chem. Soc., 1926, 48, 1274-1287. [all data]

Williams and Daniels, 1925
Williams, J.W.; Daniels, F., The specific heats of binary mixtures, J. Am. Chem. Soc., 1925, 47, 1490-1503. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Dejardin, 1919
Dejardin, G., Pressions maxima des vapeurs du benzene et du cyclohexane aux temperatures moyennes et calcul de leurs chaleurs specifiques principales, Ann. phys. [9], 1919, 11, 253-291. [all data]

von Reis, 1881
von Reis, M.A., Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht, Ann. Physik [3], 1881, 13, 447-464. [all data]

Aoyama and Kanda, 1935
Aoyama, S.; Kanda, E., Studies on the heat capacities at low temperature. Report I. Heat capacities of some organic substances at low temperature, Sci. Rept. Tohoku Imp. Univ. [1]24, 1935, 107-115. [all data]

Maass and Walbauer, 1925
Maass, O.; Walbauer, L.J., The specific heats and latent heats of fusion of ice and of several organic compounds, J. Am. Chem. Soc., 1925, 47, 1-9. [all data]

Kruif, 1980
Kruif, C.G., Enthalpies of sublimation and vapour pressures of 11 polycyclic hydrocarbons, J. Chem. Thermodyn., 1980, 12, 243-248. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Lubomska, Banas, et al., 2002
Lubomska, Monika; Banas, Agnieszka; Malanowski, Stanislaw K., Vapor-Liquid Equilibrium in Binary Systems Formed by Allyl Alcohol with Benzene and with Cyclohexane, J. Chem. Eng. Data, 2002, 47, 6, 1466-1471, https://doi.org/10.1021/je025540l . [all data]

Liu and Dickhut, 1994
Liu, Kewen; Dickhut, Rebecca M., Saturation vapor pressures and thermodynamic properties of benzene and selected chlorinated benzenes at environmental temperatures, Chemosphere, 1994, 29, 3, 581-589, https://doi.org/10.1016/0045-6535(94)90445-6 . [all data]

Ambrose, Ewing, et al., 1990
Ambrose, D.; Ewing, M.B.; Ghiassee, N.B.; Sanchez Ochoa, J.C., The ebulliometric method of vapour-pressure measurement: vapour pressures of benzene, hexafluorobenzene, and naphthalene, The Journal of Chemical Thermodynamics, 1990, 22, 6, 589-605, https://doi.org/10.1016/0021-9614(90)90151-F . [all data]

Dong, Lin, et al., 1988
Dong, Jin-Quan; Lin, Rui-Sen; Yen, Wen-Hsing, Heats of vaporization and gaseous molar heat capacities of ethanol and the binary mixture of ethanol and benzene, Can. J. Chem., 1988, 66, 4, 783-790, https://doi.org/10.1139/v88-136 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Natarajan, 1983
Natarajan, G., High-temperature calorimeter for the measurement of vapor pressure and enthalpy of vaporization, Rev. Sci. Instrum., 1983, 54, 9, 1175, https://doi.org/10.1063/1.1137545 . [all data]

Tsonopoulos and Wilson, 1983
Tsonopoulos, Constantine; Wilson, G.M., High-temperature mutual solubilities of hydrocarbons and water. Part I: Benzene, cyclohexane andn-hexane, AIChE J., 1983, 29, 6, 990-999, https://doi.org/10.1002/aic.690290618 . [all data]

Rao and Viswanath, 1977
Rao, Yaddanapudi J.; Viswanath, Dabir S., Integral isobaric heats of vaporization of benzene-chloroethane systems, J. Chem. Eng. Data, 1977, 22, 1, 36-38, https://doi.org/10.1021/je60072a011 . [all data]

Svoboda, Veselý, et al., 1973
Svoboda, V.; Veselý, F.; Holub, R.; Pick, J., Enthalpy data of liquids. II. The dependence of heats of vaporization of methanol, propanol, butanol, cyclohexane, cyclohexene, and benzene on temperature, Collect. Czech. Chem. Commun., 1973, 38, 12, 3539-3543, https://doi.org/10.1135/cccc19733539 . [all data]

Mita, Imai, et al., 1971
Mita, Itaru; Imai, Isao; Kambe, Hirotaro, Determination of heat of mixing and heat of vaporization with a differential scanning calorimeter, Thermochimica Acta, 1971, 2, 4, 337-344, https://doi.org/10.1016/0040-6031(71)85035-9 . [all data]

Forziati, Norris, et al., 1949
Forziati, Alphonse F.; Norris, William R.; Rossini, Frederick D., Vapor pressures and boiling points of sixty API-NBS hydrocarbons, J. RES. NATL. BUR. STAN., 1949, 43, 6, 555-17, https://doi.org/10.6028/jres.043.050 . [all data]

Yarym-Agaev, Fedos'ev, et al., 1949
Yarym-Agaev, N.L.; Fedos'ev, N.N.; Skorikov, K.G., Zh. Fiz. Khim., 1949, 11, 1257. [all data]

Thomson, 1946
Thomson, George Wm., The Antoine Equation for Vapor-pressure Data., Chem. Rev., 1946, 38, 1, 1-39, https://doi.org/10.1021/cr60119a001 . [all data]

Scott and Brickwedde, 1945
Scott, R.B.; Brickwedde, F.G., Thermodynamic properties of solid and liquid ethylbenzene from 0 to 300 degrees K, J. RES. NATL. BUR. STAN., 1945, 35, 6, 501-17, https://doi.org/10.6028/jres.035.024 . [all data]

Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons, J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009 . [all data]

Smith, 1941
Smith, E.R., Boiling points of benzene, 2,2,3-trimethylbutane, 3-ethylpentane, and 2,2,4,4-tetramethylpentane within the range 100 to 1,500 millimeters of mercury, J. RES. NATL. BUR. STAN., 1941, 26, 2, 129-17, https://doi.org/10.6028/jres.026.004 . [all data]

Stuckey and Saylor, 1940
Stuckey, James M.; Saylor, John H., The Vapor Pressures of Some Organic Compounds. I. ¹, J. Am. Chem. Soc., 1940, 62, 11, 2922-2925, https://doi.org/10.1021/ja01868a011 . [all data]

Eon, Pommier, et al., 1971
Eon, C.; Pommier, C.; Guiochon, G., Vapor pressures and second virial coefficients of some five-membered heterocyclic derivatives, J. Chem. Eng. Data, 1971, 16, 4, 408-410, https://doi.org/10.1021/je60051a008 . [all data]

Deshpande and Pandya, 1967
Deshpande, D.D.; Pandya, M.V., Thermodynamics of Binary Solutions. Part 2. Vapour Pressures and Excess Free Energies of Aniline Solutions, Trans. Faraday Soc., 1967, 63, 2149-2157, https://doi.org/10.1039/tf9676302149 . [all data]

Kalafati, Rasskazov, et al., 1967
Kalafati, D.D.; Rasskazov, D.S.; Petrov, E.K., Experimental Determination of a Dependence of a Saturated Vapor Pressure of Benzene on Temperature, Zh. Fiz. Khim., 1967, 41, 1357-1359. [all data]

Williamham, Taylor, et al., 1945
Williamham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D., Vapor Pressures and Boiling Points of Some Paraffin, Alkylcyclopentane, Alkylcyclohexane, and Alkylbenzene Hydrocarbons, J. Res. Natl. Bur. Stand. (U.S.), 1945, 35, 3, 219-244, https://doi.org/10.6028/jres.035.009 . [all data]

Ha, Morrison, et al., 1976
Ha, H.; Morrison, J.A.; Richards, E.L., Vapour pressures of solid benzene, cyclohexane and their mixtures, J. Chem. Soc., Faraday Trans. 1, 1976, 72, 0, 1051, https://doi.org/10.1039/f19767201051 . [all data]

Hessler, 1984
Hessler, W., Wiss. Zeitschr. Wilhelm-Pieck-Univ. Rostock, Naturwiss. Reihe, 1984, 33, 9. [all data]

De Kruif and Van Ginkel, 1977
De Kruif, C.G.; Van Ginkel, C.H.D., Torsion-weighing effusion vapour-pressure measurements on organic compounds, The Journal of Chemical Thermodynamics, 1977, 9, 8, 725-730, https://doi.org/10.1016/0021-9614(77)90015-5 . [all data]

Jackowski, 1974
Jackowski, A.W., Vapour pressures of solid benzene and of solid cyclohexane, The Journal of Chemical Thermodynamics, 1974, 6, 1, 49-52, https://doi.org/10.1016/0021-9614(74)90205-5 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Milazzo, 1956
Milazzo, G., Ann. Chim. (Rome), 1956, 46, 1105. [all data]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Wolf and Weghofer, 1938
Wolf, K.L.; Weghofer, H., Uber sublimationswarmen, Z. Phys. Chem., 1938, 39, 194-208. [all data]

de Boer, 1936
de Boer, J.H., The influence of van der Waals' forces and primary bonds on binding energy, strength and orientation, with special reference to some artificial resins, Trans. Faraday Soc., 1936, 32, 10, https://doi.org/10.1039/tf9363200010 . [all data]

Mündel, 1913
Mündel, C.F., Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1913, 85, 435. [all data]

Ziegler and Andrews, 1942
Ziegler, W.T.; Andrews, D.H., The heat capacity of benzene-d6, J. Am. Chem. Soc., 1942, 64, 2482-2485. [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Smith, 1979
Smith, G.W., Phase behavior of some linear polyphenyls, Mol. Cryst. Liq. Cryst., 1979, 49, 207-209. [all data]

Tschurl, Ueberfluss, et al., 2007
Tschurl, M.; Ueberfluss, C.; Boesl, U., Anion photoelectron, photodetachment, and infrared dissociation spectra of Cl-center dot C6H6, Chem. Phys. Lett., 2007, 439, 1-3, 23-28, https://doi.org/10.1016/j.cplett.2007.03.059 . [all data]

Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S., Determination of the Stabilities and Structures of X-(C6H6) Clusters (X = Cl, Br, and I), Chem. Phys. Lett., 1988, 147, 2-3, 174, https://doi.org/10.1016/0009-2614(88)85078-4 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]

Sunner, Nishizawa, et al., 1981
Sunner, J.; Nishizawa, K.; Kebarle, P., Ion - Solvent Molecule Interactions in the Gas Phase. Potassium Ion and Benzene, J. Phys. Chem., 1981, 85, 13, 1814, https://doi.org/10.1021/j150613a011 . [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl^-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl^- = RHCl^-, Can. J. Chem., 1982, 60, 1907. [all data]

Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P., Role of Binding Energies in A^-.B and A.B^- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A^- + B = A + B^- Involving Perfluoro Compounds: SF₆, C₆F₁₁CF₃, J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687 . [all data]

Davico, Bierbaum, et al., 1995
Davico, G.E.; Bierbaum, V.M.; Depuy, C.H.; Ellison, G.B.; Squires, R.R., The C-H bond energy of benzene, J. Am. Chem. Soc., 1995, 117, 9, 2590, https://doi.org/10.1021/ja00114a023 . [all data]

Ervin and DeTuro, 2002
Ervin, K.M.; DeTuro, V.F., Anchoring the gas-phase acidity scale, J. Phys. Chem. A, 2002, 106, 42, 9947-9956, https://doi.org/10.1021/jp020594n . [all data]

Alecu, Gao, et al., 2007
Alecu, I.M.; Gao, Y.D.; Hsieh, P.C.; Sand, J.P.; Ors, A.; McLeod, A.; Marshall, P., Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5, J. Phys. Chem. A, 2007, 111, 19, 3970-3976, https://doi.org/10.1021/jp067212o . [all data]

Gunion, Gilles, et al., 1992
Gunion, R.F.; Gilles, M.K.; Polak, M.L.; Lineberger, W.C., Ultraviolet Photoelectron Spectroscopy of the Phenide, Benzyl, and Phenoxide Anions., Int. J. Mass Spectrom. Ion Proc., 1992, 117, 601, https://doi.org/10.1016/0168-1176(92)80115-H . [all data]

Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W., Relative acidities of water and methanol, and the stabilities of the dimer adducts, J. Phys. Chem., 1986, 90, 6687. [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Bohme and Young, 1971
Bohme, D.K.; Young, L.B., Electron affinities from thermal proton transfer reactions: C₆H₅ and C₆H₅CH₂, Can. J. Chem., 1971, 49, 2918. [all data]

Bartmess and McIver Jr., 1979
Bartmess, J.E.; McIver Jr., The Gas Phase Acidity Scale in Gas Phase Ion Chemistry, Gas Phase Ion Chemistry, V. 2, M.T. Bowers, Ed., Academic Press, NY, 1979, Ch. 11, Elsevier, 1979. [all data]

Hiraoka, Fujimaki, et al., 1991
Hiraoka, K.; Fujimaki, S.; Aruga, K.; Yamabe, S., Stability and Structure of Benzene Dimer Cation (C6H6)2+, J. Chem. Phys., 1991, 95, 11, 8413, https://doi.org/10.1063/1.461270 . [all data]

Meot-Ner (Mautner), Hamlet, et al., 1978
Meot-Ner (Mautner), M.; Hamlet, P.; Hunter, E.P.; Field, F.H., Bonding Energies in Association Ions of Aromatic Molecules. Correlations with Ionization Energies, J. Am. Chem. Soc., 1978, 100, 17, 5466, https://doi.org/10.1021/ja00485a034 . [all data]

Field, Hamlet, et al., 1969
Field, F.H.; Hamlet, P.; Libby, W.F., Effect of Temperature on the Mass Spectrum of Benzene at High Pressures, J. Am. Chem. Soc., 1969, 91, 11, 2839, https://doi.org/10.1021/ja01039a003 . [all data]

Amicangelo and Armentrout, 2000
Amicangelo, J.C.; Armentrout, P.B., Absolute Binding Energies of Alkali-Metal Cation Complexes with Benzene Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, J. Phys. Chem. A, 2000, 104, 48, 11420, https://doi.org/10.1021/jp002652f . [all data]

Woodin and Beauchamp, 1978
Woodin, R.L.; Beauchamp, J.L., Bonding of Li+ to Lewis Bases in the Gas Phase. Reversals in Methyl Substituent Effects for Different Reference Acids, J. Am. Chem. Soc., 1978, 100, 2, 501, https://doi.org/10.1021/ja00470a024 . [all data]

Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P., Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n, J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013 . [all data]

Staley and Beauchamp, 1975
Staley, R.H.; Beauchamp, J.L., Intrinsic Acid - Base Properties of Molecules. Binding Energies of Li+ to pi - and n - Donor Bases, J. Am. Chem. Soc., 1975, 97, 20, 5920, https://doi.org/10.1021/ja00853a050 . [all data]

Amicangelo and Armentrout, 2001
Amicangelo, J.C.; Armentrout, P.B., Relative and Absolute Bond Dissociation Energies of Sodium Cation Complexes Determined Using Competitive Collision-Induced Dissociation Experiments, Int. J. Mass Spectrom., 2001, 212, 1-3, 301, https://doi.org/10.1016/S1387-3806(01)00494-8 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Guo, Purnell, et al., 1990
Guo, B.C.; Purnell, J.W.; Castleman, A.W., The Clustering Reactions of Benzene with Sodium and Lead Ions, Chem. Phys. Lett., 1990, 168, 2, 155, https://doi.org/10.1016/0009-2614(90)85122-S . [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]

Meot-Ner (Mautner), 1989
Meot-Ner (Mautner), M., Ion DChemistry of Ferrocene. Thermochemistry of Ionization and Protonation and Solvent Clustering. Slow and Entropy - Driven Proton - Transfer Kinetics, J. Am. Chem. Soc., 1989, 111, 8, 2830, https://doi.org/10.1021/ja00190a014 . [all data]

Meyer, Khan, et al., 1995
Meyer, F.; Khan, F.A.; Armentrout, P.B., Thermochemistry of Transition Metal Benzene complexes: Binding energies of M(C6H6)x+ (x = 1,2) for M = Ti to Cu, J. Am. Chem. Soc., 1995, 117, 38, 9740, https://doi.org/10.1021/ja00143a018 . [all data]

Kemper, Bushnell, et al., 1993
Kemper, P.R.; Bushnell, J.; Von Koppen, P.; Bowers, M.T., Binding Energies of Co+(H2/CH4/C2H6)1,2,3 Clusters, J. Phys. Chem., 1993, 97, 9, 1810, https://doi.org/10.1021/j100111a016 . [all data]

Ernstberger, Krause, et al., 1990
Ernstberger, B.; Krause, H.; Kiermeier, A.; Neusser, H.J., Multiphoton ionization and dissociation of mixed van der Waals clusters in a linear reflectron time-of-flight mass spectrometer, J. Chem. Phys., 1990, 92, 9, 5285, https://doi.org/10.1063/1.458603 . [all data]

Ruhl, Bisling, et al., 1986
Ruhl, E.; Bisling, P.G.F.; Brutschy, B.; Baumgartel, H., Photoionization of Aromatic van der Waals Complexes in a Supersonic Jet, Chem. Phys. Lett., 1986, 126, 3-4, 232, https://doi.org/10.1016/S0009-2614(86)80075-6 . [all data]

Deakyne and Meot-Ner (Mautner), 1985
Deakyne, C.A.; Meot-Ner (Mautner), M., Unconventional Ionic Hydrogen Bonds. 2. NH+ pi. Complexes of Onium Ions with Olefins and Benzene Derivatives, J. Am. Chem. Soc., 1985, 107, 2, 474, https://doi.org/10.1021/ja00288a034 . [all data]

Searles and Kebarle, 1969
Searles, S.K.; Kebarle, P., Hydration of the Potassium Ion in the Gas Phase: Enthalpies and Entropies of Hydration Reactions K+(H2O)n-1 + H2O = K+(H2O)n for n=1 to n=6, Can. J. Chem., 1969, 47, 14, 2619, https://doi.org/10.1139/v69-432 . [all data]

Caldwell, Masucci, et al., 1989
Caldwell, G.W.; Masucci, J.A.; Ikonomou, M.G., Negative Ion Chemical Ionization Mass Spectrometry - Binding of Molecules to Bromide and Iodide Anions, Org. Mass Spectrom., 1989, 24, 1, 8, https://doi.org/10.1002/oms.1210240103 . [all data]

Lin, Chen, et al., 1997
Lin, C.-Y.; Chen, Q.; Chen, H.; Freiser, B.S., Observing Unimolecular Dissociation of Metastable Ions in FT-ICR: A Novel Application of the Continuous Ejection Technique, J. Phys. Chem. A, 1997, 101, 34, 6023, https://doi.org/10.1021/jp970446a . [all data]

Lin and Dunbar, 1997
Lin, C.-Y.; Dunbar, R.C., Radiative Association Kinetics and Binding Energies of Chromium Ions with Benzene and Benzene Derivatives, Organometallics, 1997, 16, 12, 2691, https://doi.org/10.1021/om960949n . [all data]

Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S., A Determination of the Stability and Structure of F^-(C₆H₆) and F^-(C₆F₆) Clusters, J. Chem. Phys., 1987, 86, 7, 4102, https://doi.org/10.1063/1.451920 . [all data]

Gapeev and Dunbar, 2002
Gapeev, A.; Dunbar, R.C., Reactivity and Binding Energies of Transition Metal Halide Ions with Benzene, J. Am. Soc. Mass Spectrom., 2002, 13, 5, 477, https://doi.org/10.1016/S1044-0305(02)00373-2 . [all data]

Sen Sharma, Ikuta, et al., 1982
Sen Sharma, D.K.; Ikuta, S.; Kebarle, P., Alkylation of Benzene by Alkyl Cations. Stability of the tert - Butyl Benzenium Ion, Can. J. Chem., 1982, 60, 18, 2325, https://doi.org/10.1139/v82-331 . [all data]

El-Shall and Meot-Ner (Mautner), 1987
El-Shall, M.S.; Meot-Ner (Mautner), M., Ionic Charge Transfer Complexes. 3. Delocalised pi Systems as Electron Acceptors and Donors, J. Phys. Chem., 1987, 91, 5, 1088, https://doi.org/10.1021/j100289a017 . [all data]

Reents and Freiser, 1981
Reents, W.D.; Freiser, B.S., Gas-Phase Binding Energies and Spectroscopic Properties of NO+ Charge-Transfer Complexes, J. Am. Chem. Soc., 1981, 103, 2791. [all data]

Farid and McMahon, 1978
Farid, R.; McMahon, T.B., Gas-Phase Ion-Molecule Reactions of Alkyl Nitrites by Ion Cyclotron Resonance Spectroscopy, Int. J. Mass Spectrom. Ion Phys., 1978, 27, 2, 163, https://doi.org/10.1016/0020-7381(78)80037-0 . [all data]

Lee and Squires, 1986
Lee, R.E.; Squires, R.R., Anionic homoaromaticity: A gas phase experimental study, J. Am. Chem. Soc., 1986, 105, 5078. [all data]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [all data]

Mackay, Shiu, et al., 1979
Mackay, D.; Shiu, W.-Y.; Sutherland, R.P., Determination of Air-Water Henry's Law Constants for Hydrophobic Pollutants, Environ. Sci. Technol., 1979, 13, 333-337. [all data]

Bohon and Claussen, 1951
Bohon, R.L.; Claussen, W.F., The solubility of aromatic hydrocarbons in water, J. Am. Chem. Soc., 1951, 73, 1571-1578. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Aue, Guidoni, et al., 2000
Aue, D.H.; Guidoni, M.; Betowski, L.D., Ab initio calculated gas-phase basicities of polynuclear aromatic hydrocarbons, Int. J. Mass Spectrom., 2000, 201, 283. [all data]

Nemeth, Selzle, et al., 1993
Nemeth, G.I.; Selzle, H.L.; Schlag, E.W., Magnetic ZEKE experiments with mass analysis, Chem. Phys. Lett., 1993, 215, 151. [all data]

Chewter, Sander, et al., 1987
Chewter, L.A.; Sander, M.; Muller-Dethlefs, K.; Schalg, E.W., High resolution zero kinetic energy photoelectron spectroscopy of benzene and determination of the ionization potential, J. Chem. Phys., 1987, 86, 4737. [all data]

Stahl and Maquin, 1984
Stahl, D.; Maquin, F., Charge-stripping mass spectrometry of molecular ions from polyacenes and molecular orbital theory, Chem. Phys. Lett., 1984, 108, 613. [all data]

Grubb, Whetten, et al., 1984
Grubb, S.G.; Whetten, R.L.; Albrecht, A.C.; Grant, E.R., A precise determination of the first ionization potential of benzene, Chem. Phys. Lett., 1984, 108, 420. [all data]

Arimura and Yoshikawa, 1984
Arimura, M.; Yoshikawa, Y., Ionization efficiency and ionization energy of cyclic compounds by electron impact, Mass Spectrosc. (Tokyo), 1984, 32, 375. [all data]

Klasinc, Kovac, et al., 1983
Klasinc, L.; Kovac, B.; Gusten, H., Photoelectron spectra of acenes. Electronic structure and substituent effects, Pure Appl. Chem., 1983, 55, 289. [all data]

Cetinkaya, Lappert, et al., 1983
Cetinkaya, B.; Lappert, M.F.; Suffolk, R.J., Photoelectron spectra of some sterically hindered phenols and related compounds, J. Chem. Res. Synop., 1983, 316. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Duncan, Dietz, et al., 1981
Duncan, M.A.; Dietz, T.G.; Smalley, R.E., Two-color photoionization of naphthalene and benzene at threshold, J. Chem. Phys., 1981, 75, 2118. [all data]

Clare and Sowerby, 1981
Clare, P.; Sowerby, D.B., Electron impact ionisation energies of some halo-cyclotriphosphazenes, J. Inorg. Nucl. Chem., 1981, 43, 477. [all data]

Bieri and Asbrink, 1980
Bieri, G.; Asbrink, L., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1980, 20, 149. [all data]

Sell, Mintz, et al., 1978
Sell, J.A.; Mintz, D.M.; Kupperman, A., Photoelectron angular distributions of carbon-carbon π electrons in ethylene, benzene, and their fluorinated derivatives, Chem. Phys. Lett., 1978, 58, 601. [all data]

Mattsson, Karlsson, et al., 1977
Mattsson, L.; Karlsson, L.; Jadrny, R.; Siegbahn, K., Valence electron spectrum of C₆H₆ excited by linearly polarized HeI radiation, Phys. Scr., 1977, 16, 221. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Selim, 1976
Selim, E.T.M., Electron impact study of benzene, Egypt. J. Phys., 1976, 7, 91. [all data]

Behan, Johnstone, et al., 1976
Behan, J.M.; Johnstone, R.A.W.; Bentley, T.W., An evaluation of empirical methods for calculating the ionization potentials of substituted benzenes, Org. Mass Spectrom., 1976, 11, 207. [all data]

Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S., The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds, Org. Mass Spectrom., 1976, 11, 1181. [all data]

Pitt, 1973
Pitt, C.G., Hyperconjugation and its role in group IV chemistry, J. Organomet. Chem., 1973, 61, 49. [all data]

Tajima, Shimizu, et al., 1972
Tajima, S.; Shimizu, Y.; Tsuchiya, T., The effect of the shield voltage on appearance potential measurements using a mass spectrometer, Bull. Chem. Soc. Jpn., 1972, 45, 931. [all data]

Finney and Harrison, 1972
Finney, C.D.; Harrison, A.G., A third-derivative method for determining electron-impact onset potentials, Int. J. Mass Spectrom. Ion Phys., 1972, 9, 221. [all data]

Chizhov, Kleimenov, et al., 1972
Chizhov, Yu.V.; Kleimenov, V.I.; Medynskii, G.S.; Vilesov, F.I., Photoelectron spectra of some bromoethylenes and 2-bromopropene, Can. J. Chem., 1972, 50, 2642. [all data]

Sergeev, Akopyan, et al., 1970
Sergeev, Yu.L.; Akopyan, M.E.; Vilesov, F.I.; Kleimenov, V.I., Photoionization processes in phenyl halides, Opt. i Spektroskopiya, 1970, 29, 119, In original 63. [all data]

Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A., Ionization potential and structure of olefins, J. Chem. Phys., 1970, 52, 2622. [all data]

Buchs, 1970
Buchs, A., Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues, Helv. Chim. Acta, 1970, 53, 2026. [all data]

Asbrink, Lindholm, et al., 1970
Asbrink, L.; Lindholm, E.; Edqvist, O., Jahn-Teller effect in the vibrational structure of the photoelectron spectrum of benzene, Chem. Phys. Lett., 1970, 5, 609. [all data]

Peatman, Borne, et al., 1969
Peatman, W.B.; Borne, T.B.; Schlag, E.W., Photoionization resonance spectra. I. Nitric oxide and benzene, Chem. Phys. Lett., 1969, 3, 492. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Momigny, Goffart, et al., 1968
Momigny, J.; Goffart, C.; D'Or, L., Photoionization studies by total ionization measurements. I. Benzene and its monohalogeno derivatives, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 53. [all data]

Bock, Seidl, et al., 1968
Bock, H.; Seidl, H.; Fochler, M., d-Orbitaleffekte in silicium-substituierten π-Elektronensystemen. X. Vertikale Ionisierungsenergien von Alkyl- und Silyl-benzolen, Chem. Ber., 1968, 101, 2815. [all data]

Baker, May, et al., 1968
Baker, A.D.; May, D.P.; Turner, D.W., Molecular photoelectron spectroscopy. Part VII. The vertical ionisation potentials of benzene and some of its monosubstituted and 1,4-disubstituted derivatives, J. Chem. Soc. B, 1968, 22. [all data]

Baker, Brundle, et al., 1968
Baker, A.D.; Brundle, C.R.; Turner, D.W., The interpretation of photoelectron spectra especially those of benzene and water, Int. J. Mass Spectrom. Ion Phys., 1968, 1, 443. [all data]

Clark and Frost, 1967
Clark, I.D.; Frost, D.C., A study of the energy levels in benzene and some fluorobenzenes by photoelectron spectroscopy, J. Am. Chem. Soc., 1967, 89, 244. [all data]

Nounou, 1966
Nounou, P., Etude des composes aromatiques par spectrometrie de masse. I. Mesure des potentials d'ionisation et d'apparition par la methode du potential retardateur et interpretation des courbes d'ionisation differentielle, J. Chim. Phys., 1966, 63, 994. [all data]

Brehm, 1966
Brehm, B., Massenspektrometrische Untersuchung der Photoionisation von Molekulen, Z. Naturforsch., 1966, 21a, 196. [all data]

Nicholson, 1965
Nicholson, A.J.C., Photoionization-efficiency curves. II. False and genuine structure, J. Chem. Phys., 1965, 43, 1171. [all data]

Dibeler and Reese, 1964
Dibeler, V.H.; Reese, R.M., Mass spectrometric study of photoionization. I. Apparatus and initial observations on acetylene, acetylene-d₂, benzene, and benzene-d₆, J. Res. NBS, 1964, 68A, 409. [all data]

Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W., Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials, J. Chem. Soc., 1964, 4434. [all data]

Terenin, 1961
Terenin, A., Charge transfer in organic solids, induced by light, Proc. Chem. Soc., London, 1961, 321. [all data]

El-Sayed, Kaaba, et al., 1961
El-Sayed, M.F.A.; Kaaba, M.; Tanaka, Y., Ionization potentials of benzene, hexadeuterobenzene, and pyridine from their observed Rydberg series in the region 600-2000 A, J. Chem. Phys., 1961, 34, 334. [all data]

Wilkinson, 1956
Wilkinson, P.G., Absorption spectra and ionization potentials of benzene and benzene-d₆, J. Chem. Phys., 1956, 24, 917. [all data]

Watanabe, 1954
Watanabe, K., Photoionization and total absorption cross section of gases. I. Ionization potentials of several molecules. Cross sections of NH₃ and NO, J. Chem. Phys., 1954, 22, 1564. [all data]

Hustrulid, Kusch, et al., 1938
Hustrulid, A.; Kusch, P.; Tate, J.T., The dissociation of benzene (C₆H₆), pyridine (C₅H₅N) and cyclohexane (C₆H₁₂) by electron impact, Phys. Rev., 1938, 54, 1037. [all data]

Price and Wood, 1935
Price, W.C.; Wood, R.W., The far ultraviolet absorption spectra and ionization potentials of C₆H₆ and C₆D₆, J. Chem. Phys., 1935, 3, 439. [all data]

Howell, Goncalves, et al., 1984
Howell, J.O.; Goncalves, J.M.; Amatore, C.; Klasinc, L.; Wightman, R.M.; Kochi, J.K., Electron transfer from aromatic hydrocarbons and their π-complexes with metals. Comparison of the standard oxidation potentials and vertical ionization potentials, J. Am. Chem. Soc., 1984, 106, 3968. [all data]

Kovac, Mohraz, et al., 1980
Kovac, B.; Mohraz, M.; Heilbronner, E.; Boekelheide, V.; Hopf, H., Photoelectron spectra of the cyclophanes, J. Am. Chem. Soc., 1980, 102, 4314. [all data]

Kaim, Tesmann, et al., 1980
Kaim, W.; Tesmann, H.; Bock, H., Me₃C-, Me₃Si-, Me₃Ge-, Me₃Sn- und Me₃Pb-substituierte benzol- und naphthalin-derivate und ihre radikalanionen, Chem. Ber., 1980, 113, 3221. [all data]

Sell and Kupperman, 1978
Sell, J.A.; Kupperman, A., Angular distributions in the photoelectron spectra of benzene and its monohalogenated derivatives, Chem. Phys., 1978, 33, 367. [all data]

Kobayashi, 1978
Kobayashi, T., A simple general tendency in photoelectron angular distributions of some monosubstituted benzenes, Phys. Lett., 1978, 69, 105. [all data]

Klasinc, Novak, et al., 1978
Klasinc, L.; Novak, I.; Scholz, M.; Kluge, G., Photoelektronenspektren substituierter Pyridine und Benzole und ihre Interpretation durch die CNDO/SWW-Methode, Croat. Chem. Acta, 1978, 51, 43. [all data]

Schmidt, 1977
Schmidt, W., Photoelectron spectra of polynuclear aromatics. V. Correlations with ultraviolet absorption spectra in the catacondensed series, J. Chem. Phys., 1977, 66, 828. [all data]

Gower, Kane-Maguire, et al., 1977
Gower, M.; Kane-Maguire, L.A.P.; Maier, J.P.; Sweigart, D.A., Ultraviolet photoelectron spectra of cyclohepta-1,3,5-triene and mesitylene tricarbonyl complexes of the group 6A metals, J. Chem. Soc. Dalton Trans., 1977, 316. [all data]

Bock, Kaim, et al., 1977
Bock, H.; Kaim, W.; Rohwer, H.E., Radical ions XI*. One-electron oxidation of alkylsilyl benzenes in the gas phase and in solution, J. Organomet. Chem., 1977, 135, 14. [all data]

Clar and Schmidt, 1976
Clar, E.; Schmidt, W., Correlations between photoelectron and phosphorescence spectra of polycyclic hydrocarbons, Tetrahedron, 1976, 32, 2563. [all data]

Kobayashi and Nagakura, 1975
Kobayashi, T.; Nagakura, S., Angular distribution for the photoelectron spectra of benzene and hexafluorobenzene, J. Electron Spectrosc. Relat. Phenom., 1975, 7, 187. [all data]

Bischof, Dewar, et al., 1974
Bischof, P.K.; Dewar, M.J.S.; Goodman, D.W.; Jones, T.B., Photoelectron spectra of molecules. VI. Hyperconjugation versus p_π-d_π bonding in group IVb compounds, J. Organomet. Chem., 1974, 82, 89. [all data]

Schafer and Schweig, 1972
Schafer, W.; Schweig, A., Zur Konjugation in aromatischen Aminen und Phosphanen, Angew. Chem., 1972, 84, 898. [all data]

Klessinger, 1972
Klessinger, M., Ionization potentials of substituted benzenes, Angew. Chem. Int. Ed. Engl., 1972, 11, 525. [all data]

Bock, Wagner, et al., 1972
Bock, H.; Wagner, G.; Kroner, J., Photoelektronenspektren und molekuleigenschaften, XIV. Die delokalisation des schwefel-elektronenpaar in CH₃S-substituierten aromaten, Chem. Ber., 1972, 105, 3850. [all data]

Carlson and Anderson, 1971
Carlson, T.A.; Anderson, C.P., Angular distribution of the photoelectron spectrum for benzene, Chem. Phys. Lett., 1971, 10, 561. [all data]

Bock and Fuss, 1971
Bock, H.; Fuss, W., Arguments concerning the orbital sequence in borazin, Angew. Chem. Int. Ed. Engl., 1971, 10, 182. [all data]

Gleiter, Heilbronner, et al., 1970
Gleiter, R.; Heilbronner, E.; Hornung, V., Lone pair interaction in pyridazine, pyrimidine, and pyrazine, Angew. Chem. Int. Ed. Engl., 1970, 9, 901. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Lifshitz and Reuben, 1969
Lifshitz, C.; Reuben, B.G., Ion-molecule reactions in aromatic systems. I. Secondary ions and reaction rates in benzene, J. Chem. Phys., 1969, 50, 951. [all data]

Natalis and Franklin, 1965
Natalis, P.; Franklin, J.L., Ionization and dissociation of diphenyl and condensed ring aromatics by electron impact. I. Biphenyl, diphenylacetylene, and phenanthrene, J. Phys. Chem., 1965, 69, 2935. [all data]

Kuhlewind, Kiermeier, et al., 1986
Kuhlewind, H.; Kiermeier, A.; Neusser, H.J., Multiphoton ionization in a reflectron time-of-flight mass spectrometer: Individual rates of competing dissociation channels in energy-selected benzene cations [Data derived from reported threshold energies taking value of 9.244 eV for IE[Benzene]], J. Chem. Phys., 1986, 85, 4427. [all data]

Eland, Frey, et al., 1976
Eland, J.H.D.; Frey, R.; Schulte, H.; Brehm, B., New results on the fragmentation of the benzene ion, Int. J. Mass Spectrom. Ion Phys., 1976, 21, 209. [all data]

Rosenstock, Larkins, et al., 1973
Rosenstock, H.M.; Larkins, J.T.; Walker, J.A., Interpretation of photoionization thresholds: Quasiequilibrium theory and the fragmentation of benzene, Int. J. Mass Spectrom. Ion Phys., 1973, 11, 309. [all data]

Rosenstock, McCulloh, et al., 1977
Rosenstock, H.M.; McCulloh, K.E.; Lossing, F.P., On the mechanisms of C₆H₆ ionization fragmentation, Int. J. Mass Spectrom. Ion Phys., 1977, 25, 327. [all data]

Hickling and Jennings, 1970
Hickling, R.D.; Jennings, K.R., Kinetic shifts and metastable transitions, Org. Mass Spectrom., 1970, 3, 1499. [all data]

Bentley, Johnstone, et al., 1973
Bentley, T.W.; Johnstone, R.A.W.; McMaster, B.N., Appearance potentials of metastable and normal ions and the kinetic shift, J. Chem. Soc., Chem. Commun., 1973, 510. [all data]

Klippenstein, Faulk, et al., 1993
Klippenstein, S.J.; Faulk, J.D.; Dunbar, R.C., A combined theoretical and experimental study of the dissociation of benzene cation, J. Chem. Phys., 1993, 98, 243. [all data]

Gross, 1972
Gross, M.L., Ion cyclotron resonance spectrometry. A means of evaluating 'kinetic shifts', Org. Mass Spectrom., 1972, 6, 827. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Ho, Yang, et al., 1997
Ho, Y.-P.; Yang, Y.-C.; Klippenstein, S.J.; Dunbar, R.C., Binding Energies of Ag+ and Cd+ Complexes from Analysis of Radiative Association Kinetics, J. Phys. Chem. A, 1997, 101, 18, 3338, https://doi.org/10.1021/jp9637284 . [all data]

Dunbar, Klippenstein, et al., 1996
Dunbar, R.C.; Klippenstein, S.J.; Hrusak, J.; Stockigt, D.; Schwarz, H., Binding Energy of Al(C6H6)+ from the Analysis of Radiative Association Kinetics, J. Am. Chem. Soc., 1996, 118, 22, 5277, https://doi.org/10.1021/ja953235x . [all data]

Schroeder, Hrusak, et al., 1995
Schroeder, D.; Hrusak, J.; Hertwig, R.H.; Koch, W.; Schwerdtfeger, P.; Schwarz, H., Experimental and Theoretical Studies of Gold(I) Complexes Au(L)+ (L=H2O, CO, NH3, C2H4, C3H6, C4H6, C6H6, C6F6), Organometallics, 1995, 14, 1, 312, https://doi.org/10.1021/om00001a045 . [all data]

Willey, Yeh, et al., 1992
Willey, K.F.; Yeh, C.S.; Robbins, D.L.; Duncan, M.A., Charge-transfer in the photodissociation of metal ion-benzene complexes, J. Phys. Chem., 1992, 96, 23, 9106, https://doi.org/10.1021/j100202a007 . [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Beck and Hecht, 1991
Beck, S.M.; Hecht, J.H., Photofragmentation of Mass - Selected (C6H6)n+ Clusters: Measurement of Monomer - Cluster Binding Energy for n = 7 - 15, J. Chem. Phys., 1991, 96, 3, 1975, https://doi.org/10.1063/1.462099 . [all data]

Le Barbu, Schiedt, et al., 2002
Le Barbu, K.; Schiedt, J.; Weinkauf, R.; Schlag, E.W.; Nilles, J.M.; Xu, S.J.; Thomas, O.C.; Bowen, K.H., Microsolvation of small anions by aromatic molecules: An exploratory study, J. Chem. Phys., 2002, 116, 22, 9663-9671, https://doi.org/10.1063/1.1475750 . [all data]

Liebman, Romm, et al., 1991
Liebman, J.F.; Romm, M.J.; Meot-Ner (Mautner), M.; Cybulski, S.M.; Scheiner, S., Isotropy in ionic interactions. 2. How spherical is the ammonium ion? Comparison of the gas-phase clustering energies and condensed-phase thermochemistry of K+ and NH4+, J. Phys. Chem., 1991, 95, 3, 1112, https://doi.org/10.1021/j100156a018 . [all data]

Andersen, Muntean, et al., 2000
Andersen, A.; Muntean, F.; Walter, D.; Rue, C.; Armentrout, P.B., Collision-Induced Dissociation and Theoretical Studies of Mg+ Complexes with CO, CO2, NH3, CH4, CH3OH, and C6H6, J. Phys. Chem. A, 2000, 104, 4, 692, https://doi.org/10.1021/jp993031t . [all data]

Gapeev and Dunbar, 2000
Gapeev, A.; Dunbar, R.C., Binding of Alkaline Earth Halide Ions MX+ to Benzene and Mesitylene, J. Am. Soc. Mass Spectrom., 2000, 13, 5, 477, https://doi.org/10.1016/S1044-0305(02)00373-2 . [all data]

Judai, Hirano, et al., 1997
Judai, K.; Hirano, M.; Kawamata, H.; Yabushita, S.; Nakajima, A.; Kaya, K., Formation of Vanadium-Arene Complex Anions and Their Photoelectron Spectroscopy, Chem. Phys. Lett., 1997, 270, 1-2, 23, https://doi.org/10.1016/S0009-2614(97)00336-9 . [all data]

Romand and Vodar, 1951
Romand, J.; Vodar, B., Spectres d'absorption du benzene a l'etat vapeur et a l'etat condense dans l'ultraviolet lointain, Compt. Rend., 1951, 233, 930-932. [all data]

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]

Ádámová, Orinák, et al., 2005
Ádámová, M.; Orinák, A.; Halás, L., Retention indices as identification tool in pyrolysis-capillary gas chromatography, J. Chromatogr. A, 2005, 1087, 1-2, 131-141, https://doi.org/10.1016/j.chroma.2005.01.003 . [all data]

Wang, Liu, et al., 2005
Wang, Y.; Liu, J.; Li, N.; Shi, G.; Jiang, G.; Ma, W., Preliminary study of the retention behavior for different compounds using cryogenic chromatography at different initial temperatures, Microchem. J., 2005, 81, 2, 184-190, https://doi.org/10.1016/j.microc.2005.02.003 . [all data]

Kurbatova, Finkelstein, et al., 2004
Kurbatova, S.V.; Finkelstein, E.E.; Kolosova, E.A.; Kartashev, A.V.; Rashkin, S.V., Structural analogy method in studies of adamantanes, J. Struct. Chem., 2004, 45, 1, 144-150, https://doi.org/10.1023/B:JORY.0000041513.82837.4e . [all data]

Pérez-Parajón, Santiuste, et al., 2004
Pérez-Parajón, J.M.; Santiuste, J.M.; Takács, J.M., Sensitivity of the methylbenzenes and chlorobenzenes retention index to column temperature, stationary phase polarity, and number and chemical nature of substituents, J. Chromatogr. A, 2004, 1048, 2, 223-232, https://doi.org/10.1016/j.chroma.2004.07.028 . [all data]

Soják, 2004
Soják, L., Separation and identification of isomeric hydrocarbons by capillary gas chromatography and hyphenated spectrometric techniques, Petroleum Coal, 2004, 46, 3, 1-35. [all data]

Ciaznska-Halarewicz and Kowalska, 2003
Ciaznska-Halarewicz, K.; Kowalska, T., A study of the dependence of the Kováts retention index on the temperature of analysis on stationary phases of different polarity, Acta Chromatogr., 2003, 13, 69-80. [all data]

Gurevich and Roshchina, 2003
Gurevich, K.B.; Roshchina, T.M., G as chromatography study of silica modified with polyfluoroalkyl groups, J. Chromatogr. A, 2003, 1008, 97-103. [all data]

Santiuste, Harangi, et al., 2003
Santiuste, J.M.; Harangi, J.; Takács, J.M., Mosaic increments for predicting the gas chromatographic retention data of the chlorobenzenes, J. Chromatogr. A, 2003, 1002, 1-2, 155-168, https://doi.org/10.1016/S0021-9673(03)00736-2 . [all data]

Santiuste J.M. and Takacs J.M., 2003
Santiuste J.M.; Takacs J.M., Relationships between retention data of benzene and chlorobenzenes with their physico-chemical properties and topological indices, Chromatographia, 2003, 58, 87-96. [all data]

Berezkin, Korolev, et al., 2002
Berezkin, V.G.; Korolev, A.A.; Malyukova, I.V.; Popova, T.P.; Shiryaeva, V.E.; Khotimskii, V.S., Poly[1-(trimethylsilyl)-1-propine] as chromatographic adsorbent and prospects of its application in packed and capillary columns, J. Chromatogr. A, 2002, 960, 1-2, 151-158, https://doi.org/10.1016/S0021-9673(02)00333-3 . [all data]

Wick, Siepmann, et al., 2002
Wick, C.D.; Siepmann, I.; Klotz, W.L.; Schure, M.R., Temperature effects on the retention of n-alkanes and arenes in helium-squalane gas-liquid chromatography. Experiment and molecular simulation, J. Chromatogr. A, 2002, 954, 1-2, 181-190, https://doi.org/10.1016/S0021-9673(02)00171-1 . [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Garay, 2000
Garay, F., Application of a flow-tunable, serially coupled gas chromatographic capillary column system for the analysis of complex mixtures, Chromatographia Sup., 2000, 51, 1, s108-s120, https://doi.org/10.1007/BF02492792 . [all data]

Zhuravleva, 2000
Zhuravleva, I.L., Evaluation of the polarity and boiling points of nitrogen-containing heterocyclic compounds by gas chromatography, Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 325-328, https://doi.org/10.1007/BF02494682 . [all data]

Castello, Vezzani, et al., 1999
Castello, G.; Vezzani, S.; Gardella, L., Influence of temperature on the polarity of porous polymer beads stationary phases for gas chromatography, J. Chromatogr. A, 1999, 837, 1-2, 153-170, https://doi.org/10.1016/S0021-9673(99)00058-8 . [all data]

Zhu, Zhang, et al., 1999
Zhu, X.; Zhang, L.; Chen, J.; Wang, L.; Che, X., The application quantitative structure-retention relationship of GC to aid MS qualitative analysis, Chin. J. Chromatogr., 1999, 17, 4, 351-353. [all data]

Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J., Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise, J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9 . [all data]

Dewulf, Van Langenhove, et al., 1997
Dewulf, J.; Van Langenhove, H.; Everaert, M., Solid-phase microextraction of volatile organic compounds estimation of the sorption equilibrium from the Kováts index, effect of salinity and humic acids and the study of the kinetics by the development of an agitated/static layer model, J. Chromatogr. A, 1997, 761, 1-2, 205-217, https://doi.org/10.1016/S0021-9673(96)00810-2 . [all data]

Skrbic, 1997
Skrbic, B.D., Unified retention concept -- statistical treatment of Kováts retention index, J. Chromatogr. A, 1997, 764, 2, 257-264, https://doi.org/10.1016/S0021-9673(96)00955-7 . [all data]

Terenina, Zhuravieva, et al., 1997
Terenina, M.B.; Zhuravieva, I.L.; Golovnya, R.V., Peculiar features of sorption of positional isomers of formyl-, acetyl-, and aminopyridines in capillary gas-liquid chromatography, Russ. Chem. Bull. (Engl. Transl.), 1997, 46, 1, 86-89, https://doi.org/10.1007/BF02495353 . [all data]

Righezza, Hassani, et al., 1996
Righezza, M.; Hassani, A.; Meklati, B.Y.; Chrétien, J.R., Quantitative structure-retention relationships (QSRR) of congeneric aromatics series studied on phenyl OV phases in gas chromatography, J. Chromatogr. A, 1996, 723, 1, 77-91, https://doi.org/10.1016/0021-9673(95)00816-0 . [all data]

Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche, The analysis of C₄-C₁₁ hydrocarbons in naphtha and reformate with a new apolar fused silica column, J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703 . [all data]

Castello, Vezzani, et al., 1994
Castello, G.; Vezzani, S.; Moretti, P., The selectivity and polarity of carbon layer open tubular capillary columns modified with a polar liquid phase, J. Hi. Res. Chromatogr., 1994, 17, 1, 31-36, https://doi.org/10.1002/jhrc.1240170108 . [all data]

Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J., Prediction of retention indices of various compounds in gas-liquid chromatography, J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]

Krupcik, Skacani, et al., 1994
Krupcik, J.; Skacani, I.; Benicka, E.; Sandra, P., Dependence of gas chromatographic retention data of hydrocarbons on the film thickness of the polydimethylsiloxane stationary phase, Collect. Czech. Chem. Commun., 1994, 59, 11, 2390-2396, https://doi.org/10.1135/cccc19942390 . [all data]

Do and Raulin, 1992
Do, L.; Raulin, F., Gas chromatography of Titan's atmosphere. III. Analysis of low-molecular-weight hydrocarbons and nitriles with a CP-Sil-5 CB WCOT capillary column, J. Chromatogr., 1992, 591, 1-2, 297-301, https://doi.org/10.1016/0021-9673(92)80247-R . [all data]

Hassani and Meklati, 1992
Hassani, A.; Meklati, B.Y., Gas chromatographic behaviour of monosubstituted benzenes, benzaldehydes and acetophenones on OV polymethylphenyl-silicone stationary phases, Chromatographia, 1992, 33, 5/6, 267-271, https://doi.org/10.1007/BF02276193 . [all data]

Hongwei and Zhide, 1992
Hongwei, Z.; Zhide, H., Utilization of total solubility parameter for calculating retention indices of alkylbenzenes, Chromatographia, 1992, 33, 11/12, 575-580, https://doi.org/10.1007/BF02262251 . [all data]

Kowalski, 1992
Kowalski, W.J., Free radical crosslinking of the gas chromatographic stationary phase containing europium chelates, Chromatographia, 1992, 34, 5-8, 266-268, https://doi.org/10.1007/BF02268356 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J., Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions, Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894 . [all data]

Engewald and Maurer, 1990
Engewald, W.; Maurer, T., Enhanced possibilities for identification by the use of series-coupled capillary gas chromatographic columns. I. General exposition and application of the retention index concept, J. Chromatogr., 1990, 520, 3-13, https://doi.org/10.1016/0021-9673(90)85078-A . [all data]

Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov., Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity, J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0 . [all data]

Guan, Kiraly, et al., 1989
Guan, Y.; Kiraly, J.; Rijks, J.A., Interactive retention index database for compound identification in temperature-programmed capillary gas chromatography, J. Chromatogr., 1989, 472, 129-143, https://doi.org/10.1016/S0021-9673(00)94101-3 . [all data]

Safina, Poznyak, et al., 1989
Safina, L.R.; Poznyak, T.I.; Lisitsyn, D.M.; Kiseleva, E.V.; Kovalev, G.I., Selective gas-chromatographic determination of trace unsaturated and aromatic-hydrocarbons in complex-mixtures, J. Appl. Chem. USSR (Engl. Transl.), 1989, 44, 5, 749-754. [all data]

Bangjie, Yijian, et al., 1988
Bangjie, C.; Yijian, G.; Shaoyi, P., Calculation of retention indices at an assigned temperature from temperature programmed data, Chromatographia, 1988, 25, 6, 539-542, https://doi.org/10.1007/BF02324830 . [all data]

Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H., Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 9, 649-660, https://doi.org/10.1002/jhrc.1240110908 . [all data]

Lunskii and Paizanskaya, 1988
Lunskii, M.Kh.; Paizanskaya, I.L., Identification of hydrocarbons C₁-C₉ of petrol fractions of oils and condensates in the use of capillary columns with dinonylphthalate, Zh. Anal. Khim., 1988, 43, 127-135. [all data]

Samusenko and Golovnya, 1988
Samusenko, A.L.; Golovnya, R.V., Prediction of the retention indices of methyl pyridines and pyrazines in capillary gas chromatography based on the non-linear additivity of the sorption energy, Chromatographia, 1988, 25, 6, 531-535, https://doi.org/10.1007/BF02324828 . [all data]

de Zeeuw, de Nijs, et al., 1988
de Zeeuw, J.; de Nijs, R.C.M.; Buyten, J.C.; Peene, J.A.; Mohne, M., PoraPLOT Q: A porous layer open tubular column coated with styrene-divinylbenzene copolymer, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 2, 162-167, https://doi.org/10.1002/jhrc.1240110204 . [all data]

Engewald, Topalova, et al., 1987
Engewald, W.; Topalova, I.; Petsev, N.; Dimitrov, Chr., Structure-Retention Correlations of Hydrocarbons in GLC and GSC. Alkenylbenzenes, Chromatographia, 1987, 23, 8, 561-565, https://doi.org/10.1007/BF02324864 . [all data]

Evans and Haken, 1987
Evans, M.B.; Haken, J.K., Dispersion and selectivity indices of the halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1987, 389, 240-244, https://doi.org/10.1016/S0021-9673(01)94428-0 . [all data]

Fernández-Sánchez, Fernández-Torres, et al., 1987
Fernández-Sánchez, E.; Fernández-Torres, A.; García-Domínguez, J.A.; García-Muñoz, J.; Menéndez, V.; Molera, M.J.; Santiuste, J.M.; Pertierra-Rimada, E., Mixed stationary phases in gas-liquid chromatography. Partition coefficients and retention indices in OV-101-OV-25, OV-101-Carbowax 20M and OV-225-SP-2340 mixtures, J. Chromatogr., 1987, 410, 13-29, https://doi.org/10.1016/S0021-9673(00)90031-1 . [all data]

Fernández-Sánchez, García-Domínguez, et al., 1987
Fernández-Sánchez, E.; García-Domínguez, J.A.; García-Muñoz, J.; Menéndez, V.; Molera, M.J., Prediction of gas chromatographic retention indices on binary mixed stationary phases, An. Quim., 1987, 83, 56-58. [all data]

Kersten and Poole, 1987
Kersten, B.R.; Poole, C.F., Influence of concurrent retention mechanisms on the determination of stationary phase selectivity in gas chromatography, J. Chromatogr., 1987, 399, 1-31, https://doi.org/10.1016/S0021-9673(00)96108-9 . [all data]

Nabivach and Vasiliev, 1987
Nabivach, V.M.; Vasiliev, E.E.E., Correlation dependencies of GC retention indices from physical chemical properties and structures of aromatic hydrocarbons, Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol., 1987, 30, 72-75. [all data]

Boneva and Dimov, 1986
Boneva, S.; Dimov, N., Unified retention index of hydrocarbons separated on dimethylsilicone OV-101, Chromatographia, 1986, 21, 12, 697-700, https://doi.org/10.1007/BF02313682 . [all data]

Haken and Vernon, 1986
Haken, J.K.; Vernon, F., Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X . [all data]

Oszczapowicz, Osek, et al., 1985
Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M., Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column, J. Chromatogr., 1985, 330, 79-85, https://doi.org/10.1016/S0021-9673(01)81964-6 . [all data]

Rudenko, Mal'tsev, et al., 1985
Rudenko, G.I.; Mal'tsev, V.V.; Studenichnik, V.N.; Ustinov, E.P., Gas chromatographic analysis of volatile substances evolved into atmosphere from polymer materials, Zh. Anal. Khim., 1985, 40, 6, 1119-1127. [all data]

Oszczapowicz, Osek, et al., 1984
Oszczapowicz, J.; Osek, J.; Dolecka, E., Retention indices of dimethylformamidines, dimethylacetamidines and tetramethylguanidines on a non-polar column, J. Chromatogr., 1984, 315, 95-100, https://doi.org/10.1016/S0021-9673(01)90727-7 . [all data]

Stolyarov and Kartsova, 1984
Stolyarov, B.V.; Kartsova, L.A., Comparative experimental estimation of polarity and selectivity of stationary phases in gas chromatography by means of Forschneider-McReynolds constants and on the basis of thermodynamic characteristics, Zh. Anal. Khim., 1984, 39, 5, 883-889. [all data]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

Valko, Papp, et al., 1984
Valko, K.; Papp, O.; Darvas, F., Selection of Gas Chromatographic Stationary Phase Pairs for Characterization of the 1-Octanol-Water Partition Coefficient, J. Chromatogr., 1984, 301, 355-364, https://doi.org/10.1016/S0021-9673(01)89210-4 . [all data]

Boneva, Papazova, et al., 1983
Boneva, St.; Papazova, D.; Dimov, N., Retention Indices of aromatic hydrocarbons on glass and metal capillary columns with stationary phase OV-101, Jahrb. Chem. Tech. Hochschule Burgas, 1983, 18, 143-148. [all data]

Castello and D'Amato, 1983
Castello, G.; D'Amato, G., Classification of the Polarity of porous polymer bead stationary phases by comparison with squalane and apolane standard liquid phases, J. Chromatogr., 1983, 269, 153-160, https://doi.org/10.1016/S0021-9673(01)90798-8 . [all data]

Chien, Furio, et al., 1983
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J., Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-101 and SP-2100 Polydimethylsiloxane Solvents, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 10, 577-580, https://doi.org/10.1002/jhrc.1240061013 . [all data]

Chien, Furio, et al., 1983, 2
Chien, C.-F.; Furio, D.L.; Kopecni, M.M.; Laub, R.J., Specific retention volumes and retention indices of selected hydrocarbon solutes with OV-3, OV-7, OV-11, OV-17, OV-22, and OV-25 polymethylphenylsiloxane solvents, J. Hi. Res. Chromatogr., 1983, 6, 12, 669-679, https://doi.org/10.1002/jhrc.1240061207 . [all data]

Kugucheva and Mashinsky, 1983
Kugucheva, E.E.; Mashinsky, V.I., Retention Indices of Aromatic Hydrocarbons on Capillary Columns with Squalan and Polyphenyl Ether, Zh. Anal. Khim. (Rus), 1983, 38, 11, 2023-2026. [all data]

Lubeck and Sutton, 1983
Lubeck, A.J.; Sutton, DL., Kovats retention indices of selected hydrocarbons through C₁₀ on bonded phase fused silica capillaries, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1983, 6, 6, 328-332, https://doi.org/10.1002/jhrc.1240060612 . [all data]

Tóth, 1983
Tóth, T., Use of capillary gas chromatography in collecting retention and chemical information for the analysis of complex petrochemical mixtures, J. Chromatogr., 1983, 279, 157-165, https://doi.org/10.1016/S0021-9673(01)93614-3 . [all data]

Vernon and Suratman, 1983
Vernon, F.; Suratman, J.B., Errors in the measurement of retention indices on packed columns, Chromatographia, 1983, 17, 11, 597-599, https://doi.org/10.1007/BF02261942 . [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Anders, Scheller, et al., 1982
Anders, G.; Scheller, M.; Schuhler, C.; Struppe, H.G., Zur Vorausberechnung von Bruttoretentioszeiten bei temperaturprogramierter Gaschromatographie mit Hilfe isotherm bestimmter Retentionsindices und einer Anpassung an experimentelle Retentionszeiten, Chromatographia, 1982, 15, 1, 43-47, https://doi.org/10.1007/BF02269039 . [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [all data]

Gerasimenko and Nabivach, 1982
Gerasimenko, V.A.; Nabivach, V.M., Relationship between molecular structure and gas chromatographic retention of alkylbenzenes C₈-C₁ ₂ on polydimethylsiloxane, Zh. Anal. Khim., 1982, 37, 110-116. [all data]

Jaworski, 1982
Jaworski, M., Wybrane przyklady stosowania systemu indeksów retencji, Przem. Chem., 1982, 61, 9, 334-338. [all data]

Johansen and Ettre, 1982
Johansen, N.G.; Ettre, L.S., Retention index values of hydrocarbons on open-tubular columns coated with methylsilicone liquid phases, Chromatographia, 1982, 15, 10, 625-630, https://doi.org/10.1007/BF02279488 . [all data]

Macák, Nabivach, et al., 1982
Macák, J.; Nabivach, V.; Buryan, P.; Sindler, S., Dependence of retention indices of alkylbenzenes on their molecular structure, J. Chromatogr., 1982, 234, 2, 285-302, https://doi.org/10.1016/S0021-9673(00)81867-1 . [all data]

Chien, Kopecni, et al., 1981
Chien, C.-F.; Kopecni, M.M.; Laub, R.J., Specific Retention Volumes and Retention Indices of Selected Hydrocarbon Solutes with OV-1 and SE-30 Polydimethylsiloxane Solvents, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1981, 4, 10, 539-543, https://doi.org/10.1002/jhrc.1240041017 . [all data]

Gerasimenko, Kirilenko, et al., 1981
Gerasimenko, V.A.; Kirilenko, A.V.; Nabivach, V.M., Capillary gas chromatography of aromatic compounds found in coal tar fractions, J. Chromatogr., 1981, 208, 1, 9-16, https://doi.org/10.1016/S0021-9673(00)87953-4 . [all data]

Mitra, 1981
Mitra, G.D., Conversion of linear retention indices into logarithmic retention indices, J. Chromatogr., 1981, 211, 2, 239-242, https://doi.org/10.1016/S0021-9673(00)88039-5 . [all data]

Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A., On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor, J. Chromatogr. Sci., 1981, 19, 1, 40-45, https://doi.org/10.1093/chromsci/19.1.40 . [all data]

Albaigés and Guardino, 1980
Albaigés, J.; Guardino, X., Gas chromatographic-mass spectrometric identification of alkylcyclohexanes and cyclohexenes, Chromatographia, 1980, 13, 12, 755-762, https://doi.org/10.1007/BF02265555 . [all data]

Morishita, Okano, et al., 1980
Morishita, F.; Okano, T.; Kojima, T., Retention indices of monocyclic monoterpene hydrocarbons, Bunseki Kagaku, 1980, 29, 1, 48-53, https://doi.org/10.2116/bunsekikagaku.29.48 . [all data]

Nabivach and Kirilenko, 1980
Nabivach, V.M.; Kirilenko, A.V., Relationship between the gas chromatographic behaviour and the molecular structure of hydrocarbon samples and various stationary phases. Part II. Correlation between the retention index, physicochemical properties and molecular structure, Chromatographia, 1980, 13, 2, 93-100, https://doi.org/10.1007/BF02263060 . [all data]

Bajus, Veselý, et al., 1979
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A., Steam cracking of hydrocarbons. 2. Pyrolysis of methylcyclohexane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 2, 135-142, https://doi.org/10.1021/i360070a012 . [all data]

Bajus, Veselý, et al., 1979, 2
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A., Steam cracking of hydrocarbons. 1. Pyrolysis of heptane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 1, 30-37, https://doi.org/10.1021/i360069a007 . [all data]

Castello and D'Amato, 1979
Castello, G.; D'Amato, G., Use of Linear and Branched-Chain Paraffinic Liquid Phases as Non-Polar Reference Materials in Gas Chromatography, J. Chromatogr., 1979, 175, 1, 27-35, https://doi.org/10.1016/S0021-9673(00)86400-6 . [all data]

Gröbler and Bálizs, 1979
Gröbler, A.; Bálizs, G., Investigations on mixed gas chromatographic stationary phases. Part I. Dependence of the retention index on the composition of the stationary phase, J. Chromatogr. Sci., 1979, 17, 11, 631-635, https://doi.org/10.1093/chromsci/17.11.631 . [all data]

Nabivach and Kirilenko, 1979
Nabivach, V.M.; Kirilenko, A.V., The use of retention indices for identifying the components of crude benzene, Solid Fuel Chem. (Engl. Transl.), 1979, 13, 3, 82-87. [all data]

Drozd, Novák, et al., 1978
Drozd, J.; Novák, J.; Rijks, J.A., Quantitative and qualitative head-space gas analysis of parts per billion amounds of hydrocarbons in water. A study of model systems by capillary-column gas chromatography with splitless sample injection, J. Chromatogr., 1978, 158, 471-482, https://doi.org/10.1016/S0021-9673(00)89989-6 . [all data]

Nabivach, Bur'yan, et al., 1978
Nabivach, V.M.; Bur'yan, P.; Matsak, I., Retention indices of aromatic hydrocarbons on a squalane capillary column, Zh. Anal. Khim., 1978, 33, 7, 1108-1113. [all data]

Welsch, Engewald, et al., 1978
Welsch, Th.; Engewald, W.; Berger, P., IX. Das gas-chromatographische Retentionsverhalten isomerer Octine and Octadiine, Chromatographia, 1978, 11, 1, 5-9, https://doi.org/10.1007/BF02262945 . [all data]

Golovnya and Misharina, 1977
Golovnya, R.V.; Misharina, T.A., Characterization of the selectivity of stationary phases from the partial molar free energies of solution of standards, Chromatographia, 1977, 10, 11, 658-660, https://doi.org/10.1007/BF02268893 . [all data]

Engewald and Wennrich, 1976
Engewald, W.; Wennrich, L., Molekülstruktur und Retentionsverhalten. VIII. Zum Retentionsverhalten höherer Alkylbenzole bei der Gas-Verteilungs-Chromatographie, Chromatographia, 1976, 9, 11, 540-547, https://doi.org/10.1007/BF02275960 . [all data]

Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N., Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C₈₇ hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Ryba, 1976
Ryba, M., Unlösliche Restfilme er stationären Flüssigkeit in gas-chromatographischen Glaskapillaren, Chromatographia, 1976, 9, 3, 105-112, https://doi.org/10.1007/BF02330376 . [all data]

Soják and Rijks, 1976
Soják, L.; Rijks, J.A., Capillary gas chromatography of alkylbenzenes. I. Some problems encountered with the precision of the retention indcies of alkylbenzenes, J. Chromatogr., 1976, 119, 505-521, https://doi.org/10.1016/S0021-9673(00)86812-0 . [all data]

Vylegzhanina and Keiser, 1976
Vylegzhanina, G.F.; Keiser, L.S., Determination of the heats of solution of the insecticide gardona and its metabolites in the stationary phase and their Kovats retention indices, Zh. Anal. Khim., 1976, 31, 1, 171-173. [all data]

Vernon and Edwards, 1975
Vernon, F.; Edwards, G.T., Gas-liquid chromatography on fluorinated stationary phases. I. Hydrocarbons and fluorocarbons, J. Chromatogr., 1975, 110, 1, 73-80, https://doi.org/10.1016/S0021-9673(00)91212-3 . [all data]

Ashes and Haken, 1974
Ashes, J.R.; Haken, J.K., Gas chromatography of homologous esters. VI. Structure-retention increments of aliphatic esters, J. Chromatogr., 1974, 101, 1, 103-123, https://doi.org/10.1016/S0021-9673(01)94737-5 . [all data]

Engewald, Epsch, et al., 1974
Engewald, W.; Epsch, K.; Graefe, J.; Welsch, Th., Molekülstruktur und retentionsverhalten. II. Retentionsverhalten cycloaliphatischer kohlenwasser-stoffe bei der gas-adsorptions- und gas-verteilungschromatographie, J. Chromatogr., 1974, 91, 623-631, https://doi.org/10.1016/S0021-9673(01)97943-9 . [all data]

Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A., High precision capillary gas chromatography of hydrocarbons, Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819 . [all data]

Svob, Deur-Siftar, et al., 1974
Svob, V.; Deur-Siftar, D.; Cramers, C.A., Mechanisms of the thermal degradation of alkylbenzenes, J. Chromatogr., 1974, 91, 659-675, https://doi.org/10.1016/S0021-9673(01)97946-4 . [all data]

Svob and Deur-Siftar, 1974
Svob, V.; Deur-Siftar, D., Kovats Retention Indices in the Identification of Alkylbenzene Degradation Products, J. Chromatogr., 1974, 91, 677-689, https://doi.org/10.1016/S0021-9673(01)97947-6 . [all data]

Gäumann and Bonzo, 1973
Gäumann, T.; Bonzo, R., The gas-chromatographic retention indices of deuterated compounds, Helv. Chim. Acta, 1973, 56, 3, 1165-1176, https://doi.org/10.1002/hlca.19730560340 . [all data]

Pacáková, Hoch, et al., 1973
Pacáková, V.; Hoch, K.; Smolková, E., The Effect of Instrumentation on the Precision of Retention Indexes, Chromatographia, 1973, 6, 7, 320-324, https://doi.org/10.1007/BF02269334 . [all data]

Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G., Identification by means of retention parameters, J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151 . [all data]

Agrawal, Tesarík, et al., 1972
Agrawal, B.B.; Tesarík, K.; Janák, J., Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indices, J. Chromatogr., 1972, 65, 1, 207-215, https://doi.org/10.1016/S0021-9673(00)86933-2 . [all data]

Sidorov, Petrova, et al., 1972
Sidorov, R.I.; Petrova, V.I.; Ivanova, M.P., Qualitative analysis of wide-boiling fraction C5-C10 with capillary chromatography in Processes in chromatographic columns. Vol.17, 1972, 14-25. [all data]

Takács, Tálas, et al., 1972
Takács, J.; Tálas, Zs.; Bernáth, I.; Czakó, Gy.; Fischer, A., Contribution to the theory of the retention index system. IV. Retention index and molecular structure. Calculation of retention indices of olefins, cyclic hydrocarbons and homologues of benzene hydrocarbons on the basis of their molecular structures, J. Chromatogr., 1972, 67, 2, 203-212, https://doi.org/10.1016/S0021-9673(01)91222-1 . [all data]

Dimov and Schopov, 1971
Dimov, N.; Schopov, D., Empirische korrektion der physikalisch-chemischen retentionsindexe von kohlenwasserstoffen auf squalan, J. Chromatogr., 1971, 63, 223-228, https://doi.org/10.1016/S0021-9673(01)85634-X . [all data]

Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L., A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices, J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8 . [all data]

Vernon, 1971
Vernon, F., An investigation into hydrogen bonding in gas-liquid chromatography, J. Chromatogr., 1971, 63, 249-257, https://doi.org/10.1016/S0021-9673(01)85637-5 . [all data]

Wagaman and Smith, 1971
Wagaman, K.L.; Smith, T.G., Use of hydrocarbons as carrier gases in GLC, J. Chromatogr. Sci., 1971, 9, 4, 241-244, https://doi.org/10.1093/chromsci/9.4.241 . [all data]

Wallaert, 1971
Wallaert, B., Détermination des indices de Kovats sur colonne capillaire polaire, Bull. Soc. Chim. Fr., 1971, 1107-1109. [all data]

Soják and Bucinská, 1970
Soják, L.; Bucinská, A., Open tubular column gas chromatography of dehydrogenation products of C₆-C₁₀ n-alkanes. Separation and identification of mixtures of C₆-C₁₀ straight-chain alkanes, alkenes and aromatics, J. Chromatogr., 1970, 51, 75-82, https://doi.org/10.1016/S0021-9673(01)96841-4 . [all data]

Brown, Chapman, et al., 1968
Brown, I.; Chapman, I.L.; Nicholson, G.J., Gas chromatography of polar solutes in electron acceptor stationary phases, Aust. J. Chem., 1968, 21, 5, 1125-1141, https://doi.org/10.1071/CH9681125 . [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

Bonastre and Grenier, 1967
Bonastre, J.; Grenier, P., Contribution à l'étude de la polarité des phases stationnaires en chromatographie gas-liquide. I. Calcul des coefficients d'activité relatifs et des indices de rétention de quelques hydrocarbures aromatiques, Bull. Soc. Chim. Fr., 1967, 4, 1395-1405. [all data]

Evans, 1966
Evans, M.B., Retention indices of solutes on squalane, dinonyl phthalate, and polyethylene glycol 400, J. Gas Chromatogr., 1966, 4, 1, 1-3, https://doi.org/10.1093/chromsci/4.1.1 . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Buchin, Salmon, et al., 2002
Buchin, S.; Salmon, J.-C.; Carnat, A.-P.; Berger, T.; Bugaud, C.; Bosset, J.O., Identification de composés monoterpéniques, sesquiterpéniques et benzéniques dans un lait d'alpage très riche en ces substances, Mitt. Lebensmittelunters. Hyg., 2002, 93, 199-216. [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W., Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices, J. Chromatogr., 1982, 253, 179-198, https://doi.org/10.1016/S0021-9673(01)88376-X . [all data]

Louis, 1971
Louis, R., Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen, Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]

SGE, 2005
SGE, Guide to GC column selection, 2005, retrieved from http://www.sge.com/htm/support/product_selection/prod_sel_gc.asp. [all data]

Wongpornchai, Sriseadka, et al., 2003
Wongpornchai, S.; Sriseadka, T.; Choonvisase, S., Identification and quantitation of the rice aroma compound, 2-acetyl-1-pyrroline, in bread flowers (Vallaris glabra Ktze), J. Agric. Food Chem., 2003, 51, 2, 457-462, https://doi.org/10.1021/jf025856x . [all data]

Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory, Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]

Hoekman, 1993
Hoekman, S.K., Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions, J. Chromatogr., 1993, 639, 2, 239-253, https://doi.org/10.1016/0021-9673(93)80260-F . [all data]

Jalali-Heravi and Garkani-Nejad, 1993
Jalali-Heravi, M.; Garkani-Nejad, Z., Prediction of gas chromatographic retention indices of some benzene derivatives, J. Chromatogr., 1993, 648, 2, 389-393, https://doi.org/10.1016/0021-9673(93)80421-4 . [all data]

Castello, Timossi, et al., 1988
Castello, G.; Timossi, A.; Gerbino, T.C., Gas Chromatographic Separation of Halogenated Compounds on Non-Polar and Polar Wide Bore Capillary Columns, J. Chromatogr., 1988, 454, 129-143, https://doi.org/10.1016/S0021-9673(00)88608-2 . [all data]

Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C., Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °), J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7 . [all data]

Moffat, Stead, et al., 1974
Moffat, A.C.; Stead, A.H.; Smalldon, K.W., Optimum use of paper, thin-layer and gas-liquid chromatography for the identification of basic drugs. III. Gas-liquid chromatography, J. Chromatogr., 1974, 90, 1, 19-33, https://doi.org/10.1016/S0021-9673(01)94770-3 . [all data]

Egazaryants and Maximov, 1998
Egazaryants, S.V.; Maximov, A.L., Analysis of Gasoline Fractions by Capillary GC in 20th International Symposium on Capillary Chromatography, 1998, 1-6. [all data]

Orav, Kuningas, et al., 1994
Orav, A.; Kuningas, K.; Kailas, T.; Koplimets, E.; Rang, S., Effect of adsorption on the retention values in capillary columns coated with OV-225 and PEG 20M, J. Chromatogr. A, 1994, 659, 1, 143-150, https://doi.org/10.1016/0021-9673(94)85016-X . [all data]

Castello, Vezzani, et al., 1991
Castello, G.; Vezzani, S.; Gerbino, T., Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates, J. Chromatogr., 1991, 585, 2, 273-280, https://doi.org/10.1016/0021-9673(91)85088-W . [all data]

Podmaniczky, Szepesy, et al., 1985
Podmaniczky, L.; Szepesy, L.; Lakszner, K.; Schomburg, G., Relationship between thermodynamic characteristics and isothermal retention indices, Chromatographia, 1985, 20, 10, 623-628, https://doi.org/10.1007/BF02263223 . [all data]

Vernon and Suratman, 1983, 2
Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 1983, 17, 11, 600-604, https://doi.org/10.1007/BF02261943 . [all data]

Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Ellis and Still, 1979
Ellis, T.S.; Still, R.H., Thermal degradation of polymers. XXI. Vacuum pyrolysis of poly(m-N,N-dimethylaminostyrene); the products volatile at pyrolysis temperature, liquid at room temperature, J. Appl. Polym. Sci., 1979, 23, 10, 2837-2854, https://doi.org/10.1002/app.1979.070231002 . [all data]

Ellis and Still, 1979, 2
Ellis, T.S.; Still, R.H., Thermal degradation of polymers. XXIII. Vacuum pyrolysis of poly(p-N,N-dimethylaminostyrene); the products volatile at pyrolysis temperature, liquid or gaseous at room temperature, J. Appl. Polym. Sci., 1979, 23, 10, 2871-2880, https://doi.org/10.1002/app.1979.070231004 . [all data]

Döring, Estel, et al., 1974
Döring, C.E.; Estel, D.; Fischer, R., Kapillar-gaschromatographische Charakterisierung von C₁₀-bis C₁₂-Aromaten, J. Prakt. Chem., 1974, 316, 1, 1-12, https://doi.org/10.1002/prac.19743160102 . [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Tibor and Anna, 1971
Tibor, T.; Anna, B., Gázkromatográfiás retenció és a kémiai szerkezet, I., Magy. Kem. Foly., 1971, 77, 576-587. [all data]

Umano and Shibamoto, 1987
Umano, K.; Shibamoto, T., Analysis of headspace volatiles from overheated beef fat, J. Agric. Food Chem., 1987, 35, 1, 14-18, https://doi.org/10.1021/jf00073a004 . [all data]

Slizhov and Gavrilenko, 2001
Slizhov, Yu.G.; Gavrilenko, M.A., Effect of thermal treatment of poly(ethylene glycol) modified with europium acetylacetonate on its chromatographic properties, Russ. J. Phys. Chem. (Engl. Transl.), 2001, 75, 6, 1012-1013. [all data]

Engel and Ratel, 2007
Engel, E.; Ratel, J., Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication, J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012 . [all data]

Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D., Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb, Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002 . [all data]

Insausti, Goñi, et al., 2005
Insausti, K.; Goñi, V.; Petri, E.; Gorraiz, C.; Beriain, M.J., Effect of weight at slaughter on the volatile compounds of cooked beef from Spanish cattle breeds, Meat Sci., 2005, 70, 1, 83-90, https://doi.org/10.1016/j.meatsci.2004.12.003 . [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Isidorov, Vinogorova, et al., 2003
Isidorov, V.A.; Vinogorova, V.T.; Rafalowski, K., HS-SPME analysis of volatile organic compounds of coniferous needle litter, Atmos. Environ., 2003, 37, 33, 4645-4650, https://doi.org/10.1016/j.atmosenv.2003.07.005 . [all data]

LECO Corporation, 2003
LECO Corporation, Determination of hydrocarbon components in petroleum naphthas, 2003, retrieved from http://www.leco.org/customersupport/apps/separationscience/-190.pdf. [all data]

Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B., Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Dallüge, van Stee, et al., 2002
Dallüge, J.; van Stee, L.L.P.; Xu, X.; Williams, J.; Beens, J.; Vreuls, R.J.J.; Brinkman, U.A.Th., Unravelling the composition of very complex samples by comprehensive gas chromatography coupled to time-of-flight mass spectrometry. Cigarette smoke, J. Chromatogr. A, 2002, 974, 1-2, 169-184, https://doi.org/10.1016/S0021-9673(02)01384-5 . [all data]

Yin, Liu, et al., 2001
Yin, C.; Liu, W.; Li, Z.; Pan, Z.; Lin, T.; Zhang, M., Chemometrics to chemical modeling: structural coding in hydrocarbons and retention indices of gas chromatography, J. Sep. Sci., 2001, 24, 3, 213-220, https://doi.org/10.1002/1615-9314(20010301)24:3<213::AID-JSSC213>3.0.CO;2-4 . [all data]

Yassaa, Meklati, et al., 1999
Yassaa, N.; Meklati, B.Y.; Cecinato, A., Analysis of volatile organic compounds in the ambient air of Algiers by gas chromatography with a β-cyclodextrin capillary column, J. Chromatogr. A, 1999, 846, 1-2, 287-293, https://doi.org/10.1016/S0021-9673(99)00327-1 . [all data]

Madruga and Mottram, 1998
Madruga, M.S.; Mottram, D.S., The effect of pH on the formation of volatile compounds produced by heating a model system containing 5'-imp and cysteine, J. Braz. Chem. Soc., 1998, 9, 3, 261-271, https://doi.org/10.1590/S0103-50531998000300010 . [all data]

Kivi-Etelätalo, Kostiainen, et al., 1997
Kivi-Etelätalo, E.; Kostiainen, O.; Kokko, M., Analysis of volatile organic compounds in air using retention indices together with a simple thermal desorption and cold trap method, J. Chromatogr. A, 1997, 787, 1-2, 205-214, https://doi.org/10.1016/S0021-9673(97)00663-8 . [all data]

Martos, Saraullo, et al., 1997
Martos, P.A.; Saraullo, A.; Pawliszyn, J., Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air, Anal. Chem., 1997, 69, 3, 402-408, https://doi.org/10.1021/ac960633p . [all data]

DeMilo, Lee, et al., 1996
DeMilo, A.B.; Lee, C.-J.; Moreno, D.S.; Martinez, A.J., Identification of volatiles derived from Citrobacter freundii fermentation of a trypticase soy broth, J. Agric. Food Chem., 1996, 44, 2, 607-612, https://doi.org/10.1021/jf950525o . [all data]

Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946 . [all data]

Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P., Gas chromatography mass spectrometry analysis of volatile organic trace gases at Mauna Loa Observatory, Hawaii, J. Geophys. Res., 1996, 101, D9, 14697-14710, https://doi.org/10.1029/96JD00212 . [all data]

Lai and Song, 1995
Lai, W.-C.; Song, C., Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels, Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H . [all data]

Subramaniam, Bochniak, et al., 1994
Subramaniam, B.; Bochniak, D.; Snavely, K., Fischer-Tropsch synthesis in supercritical reaction media, Lawrence Department of Chemical and Petroleum Engineering (DOE/PC/92532--T7), United States Department of Energy, Pittsburgh, PA, 1994, 8, retrieved from http://www.NTIS.gov. [all data]

Yu, Lin, et al., 1994
Yu, T.-H.; Lin, L.-Y.; Ho, C.-T., Volatile compounds of blanched, fried blanched, and baked blanched garlic slices, J. Agric. Food Chem., 1994, 42, 6, 1342-1347, https://doi.org/10.1021/jf00042a018 . [all data]

Olson, Sinkevitch, et al., 1992
Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M., Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust, J. Chromatogr. Sci., 1992, 30, 12, 500-508, https://doi.org/10.1093/chromsci/30.12.500 . [all data]

Peng, Hua, et al., 1992
Peng, C.T.; Hua, R.L.; Maltby, D., Prediction of retention indexes. IV. Chain branching in alkylbenzene isomers with C₁₀-₁₃ alkyl chains identified in a scintillator solvent, J. Chromatogr., 1992, 589, 1-2, 231-239, https://doi.org/10.1016/0021-9673(92)80027-R . [all data]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Morinaga, Hara, et al., 1990
Morinaga, M.; Hara, K.; Kageura, M.; Heida, Y.; Takamoto, M.; Kashimura, S., A simple, rapid and simultaneous analysis of complex volatile hydrocarbon mixtures in blood using gas chromatography/mass spectrometry with a wide-bore capillary column, Z. Rechtsmed., 1990, 103, 8, 567-572, https://doi.org/10.1007/BF01261420 . [all data]

Bangjie, Xijian, et al., 1987
Bangjie, C.; Xijian, G.; Shaoyi, P., Calculation of retention indices in temperature-programmed gas chromatography, Chromatographia, 1987, 23, 12, 888-892, https://doi.org/10.1007/BF02261466 . [all data]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]

Knoppel, de Bortoli, et al., 1983
Knoppel, H.; de Bortoli, M.; Peil, A.; Vissers, H., Reproducibility of Temperature-Programmed Gas Chromatographic Retention Indices with Non-Polar Glass Capillary Columns, J. Chromatogr., 1983, 279, 483-492, https://doi.org/10.1016/S0021-9673(01)93649-0 . [all data]

Knoppel, de Bortoli, et al., 1982
Knoppel, H.; de Bortoli, M.; Peil, A.; Schauenburg, H.; Vissers, H., The determination of linear PTGC retention indices for use in environmental organics analysis, Comm. Eur. Communities, Rep. EUR, 1982, 99-109. [all data]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]

Nixon, Wong, et al., 1979
Nixon, L.N.; Wong, E.; Johnson, C.B.; Birch, E.J., Nonacidic constituents of volatiles from cooked mutton, J. Agric. Food Chem., 1979, 27, 2, 355-359, https://doi.org/10.1021/jf60222a044 . [all data]

Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N., Analysis of leek volatiles by headspace condensation, J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023 . [all data]

Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M., Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars, Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4 . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Hassoun, Pilling, et al., 1999
Hassoun, S.; Pilling, M.J.; Bartle, K.D., A catalogue of urban hydrocarbons for the city of Leeds: atmospheric monitoring of volatile organic compounds by thermal desorption-gas chromatography, J. Environ. Monitor., 1999, 1, 5, 453-458, https://doi.org/10.1039/a904879k . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F., Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry, J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826 . [all data]

Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S., Analysis of the headspace aroma compounds of walnuts (Juglans regia L.), Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477 . [all data]

Liu, Yang, et al., 2001
Liu, T.-T.; Yang, T.-S.; Wu, C.-M., Changes of volatiles in soy sauce-stewed pork during cold storage and reheating, J. Sci. Food Agric., 2001, 81, 15, 1547-1552, https://doi.org/10.1002/jsfa.978 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Peralta, et al., 1996
Shimoda, M.; Peralta, R.R.; Osajima, Y., Headspace gas analysis of fish sauce, J. Agric. Food Chem., 1996, 44, 11, 3601-3605, https://doi.org/10.1021/jf960345u . [all data]

Sumitani, Suekane, et al., 1994
Sumitani, H.; Suekane, S.; Nakatani, A.; Tatsuka, K., Changes in composition of volatile compounds in high pressure treated peach, J. Agric. Food Chem., 1994, 42, 3, 785-790, https://doi.org/10.1021/jf00039a037 . [all data]

Matiella and Hsieh, 1990
Matiella, J.E.; Hsieh, T.C.-Y., Analysis of crabmeat volatile compounds, J. Food Sci., 1990, 55, 4, 962-966, https://doi.org/10.1111/j.1365-2621.1990.tb01575.x . [all data]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Tello, Lebron-Aguilar, et al., 2009
Tello, A.M.; Lebron-Aguilar, R.; Quintanilla-Lopez, J.E.; Santiuste, J.M., Isothermal retention indices on poly93-cyanopropylmethyl)siloxane stationary phases, J. Chromatogr. A, 2009, 1216, 10, 1630-1639, https://doi.org/10.1016/j.chroma.2008.10.025 . [all data]

Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M., Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases, J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025 . [all data]

Chen and Feng, 2006
Chen, Y.; Feng, C.-I., Regerating the spent metal-contaminated cracking catalyst by ozalic acid, J. Shanxi Univ. (Nat. Sci. Ed.), 2006, 29, 4, 414-420. [all data]

Li and Deng, 1998
Li, H.; Deng, C., Qualitative analysis of light components of gasoline cracking using Kovats retention indices, J. Instrumental Analysis, 1998, 17, 1, 67-69. [all data]

Tian, 1993
Tian, S., Analysis of the tower bottom oil of dimethylbenzene rectifying tower and C9 aromatic hydrocarbon fraction by capillary gas chromatography, Chin. J. Chromatogr., 1993, 11, 4, 202-206. [all data]

Wang, Deng, et al., 1992
Wang, H.; Deng, Z.; Song, L.; Jiang, W., Analysis of volatile organic pollutants with Curie point desorption gas chromatographic method. 2. Quantitative analysis., Environ. Pollut. Control (Chinese), 1992, 14, 5, 35-38. [all data]

Wu and Lu, 1984
Wu, J.; Lu, W., Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101, Chin. J. Chromatogr., 1984, 1, 1, 11-17. [all data]

Bermejo, Moinelo, et al., 1980
Bermejo, J.; Moinelo, S.R.; Suarez Canga, C., Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Calculo de indices de retencion a patir de DI y de la polaridad de la fase, Instituto Nacional del Carbon y sus Derivados Francisco Pintado Fe (INCAR), La Corredoria, Oviedo, Espana, 1980, 13. [all data]

Sojak and Vigdergauz, 1978
Sojak, L.; Vigdergauz, M.S., Comparison of interpolation methods for the interpretation of retention data in gas chromatography, J. Chromatogr., 1978, 148, 1, 159-167, https://doi.org/10.1016/S0021-9673(00)99332-4 . [all data]

Kavan, 1973
Kavan, I., Analysis of odorants, Sbornik Praci UVP, 1973, 26, 128-144. [all data]

Vigdergauz and Martynov, 1971
Vigdergauz, M.S.; Martynov, A.A., Some applications of the gas chromatographic linear retention indices, Chromatographia, 1971, 4, 10, 463-467, https://doi.org/10.1007/BF02268816 . [all data]

Anderson, 1968
Anderson, D.G., USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents, J. Paint Technol., 1968, 40, 527, 549-557. [all data]

Cremer and Nonn, 1964
Cremer, E.; Nonn, H., Kennzahlen zur Identifizierung chromatographisch getrennter Komponenten, Monatsh. Chem., 1964, 3, 3, 910-921, https://doi.org/10.1007/BF00908804 . [all data]

Ferrand, 1962
Ferrand, R., Gas phase chromatography using retention indices for the analysis of tars and their hydrogenation products, Journees internationales d'etude des methodes de separation immediate at de chromatographie; Org. sur l'initiative du IX., 1962, 132-140. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A., HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge, Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8 . [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C., Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [all data]

Harrison and Priest, 2009
Harrison, B.M.; Priest, F.G., Composition of peaks used in the preparation of malt for Scotch Whisky production - influence of geographical source and extraction depth, J. Agric. Food Chem., 2009, 57, 6, 2385-2391, https://doi.org/10.1021/jf803556y . [all data]

Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0 . [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Zenkevich, Eliseenkov, et al., 2006
Zenkevich, I.G.; Eliseenkov, E.V.; Kasatochkin, A.N., Application of Retention Indices in GC-MS Identification of Halogenated Organic Compounds, Mass Spectromery (Rus.), 2006, 3, 2, 131-140. [all data]

Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C., Volatile constituents of genipap (Genipa americana L.) fruit from Cuba, Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491 . [all data]

Zenkevich, Makarov, et al., 2005
Zenkevich, I.G.; Makarov, A.A.; Eliseenkov, E.V., The XXIX Symposium Chromatographic Methods of Investigating the Organic Compounds. Book of Abstracts, Retention indices of some fluorinated arenes C7-C9 on polar inorganic sorbents. Unusual behavior of Silipor 600, Institute of Chemistry, Silesian University, Katowice, Poland, 2005, 43. [all data]

Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M., Volatile organic compounds from leaves litter, Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7 . [all data]

Poligné, Collignan, et al., 2001
Poligné, I.; Collignan, A.; Trystram, G., Characterization of traditional processing of pork meat into boucané, Meat Sci., 2001, 59, 4, 377-389, https://doi.org/10.1016/S0309-1740(01)00090-0 . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G., Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures, J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5 . [all data]

Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8 . [all data]

Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 1999, 23, 9, 20-22. [all data]

Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J., Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C, Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]

Barrefors, Björkqvist, et al., 1996
Barrefors, G.; Björkqvist, S.; Ramnäs, O.; Petersson, G., Gas chromatographic separation of volatile furans from birchwood smoke, J. Chromatogr. A, 1996, 753, 1, 151-155, https://doi.org/10.1016/S0021-9673(96)00534-1 . [all data]

Huang, Liang, et al., 1996
Huang, C.; Liang, H.; Han, S., The analysis of organic compounds in waste water by gas extraction/thermal desorption/gas chromatography-mass spectrometry, Chin. J. Chromatogr., 1996, 14, 6, 421-424. [all data]

Wang and Fingas, 1995
Wang, Z.; Fingas, M., Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry, J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y . [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C₄-C₁₄ hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Guan, Zheng, et al., 1992
Guan, Y.; Zheng, P.; Zhou, L., Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatography, J. Hi. Res. Chromatogr., 1992, 15, 1, 18-23, https://doi.org/10.1002/jhrc.1240150106 . [all data]

Hartgers, Damste, et al., 1992
Hartgers, W.A.; Damste, J.S.S.; de Leeuw, J.W., Identification of C₂-C₄ alkylated benzenes in flash pyrolysates of kerogens, coals and asphaltenes, J. Chromatogr., 1992, 606, 2, 211-220, https://doi.org/10.1016/0021-9673(92)87027-6 . [all data]

Zenkevich and Ventura, 1991
Zenkevich, I.G.; Ventura, K., Gas Chromatographic Identification of Volatile Products of Thermal Degradation of Bitumen, Zh. Prikl. Khim. (Rus.), 1991, 9, 1974-1979. [all data]

Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A., Volatile Components of Safflower, J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020 . [all data]

Binder, Turner, et al., 1990
Binder, R.G.; Turner, C.E.; Flath, R.A., Volatile components of purple starthistle, J. Agric. Food Chem., 1990, 38, 4, 1053-1055, https://doi.org/10.1021/jf00094a030 . [all data]

Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R., Analytical Investigation of Rio Off-Flavor in Green Coffee, J. Agric. Food Chem., 1990, 38, 1, 226-233, https://doi.org/10.1021/jf00091a050 . [all data]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [all data]

Binder and Flath, 1989
Binder, R.G.; Flath, R.A., Volatile components of pineapple guava, J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034 . [all data]

Durand, Boscher, et al., 1987
Durand, J.P.; Boscher, Y.; Petroff, N.; Berthelin, M., Automatic Gas Chromatographic Determination of Gasoline Components. Application to Octane Number Determination, J. Chromatogr., 1987, 395, 229-240, https://doi.org/10.1016/S0021-9673(01)94113-5 . [all data]

Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F., Volatile components of Rooibos tea (Aspalathus linearis), J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024 . [all data]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Heydanek and McGorrin, 1981
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy identification of volatiles from rancid oat groats, J. Agric. Food Chem., 1981, 29, 5, 1093-1095, https://doi.org/10.1021/jf00107a051 . [all data]

Heydanek and McGorrin, 1981, 2
Heydanek, M.G.; McGorrin, R.J., Gas chromatography-mass spectroscopy investigations on the flavor chemistry of oat groats, J. Agric. Food Chem., 1981, 29, 5, 950-954, https://doi.org/10.1021/jf00107a016 . [all data]

Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H., Multiple korrelation von retentionsindizes, Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943 . [all data]

Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N., Flavor analysis of quince, J. Agric. Food Chem., 1979, 27, 4, 872-876, https://doi.org/10.1021/jf60224a058 . [all data]

Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C., Gas phase characterization of wood, pulp, and paper, Appl. Polymer Symp., 1976, 28, 889-901. [all data]

Yusuf and Bewaji, 2011
Yusuf, O.K.; Bewaji, C.O., Evaluation of essential oils composition of methanolic Allium sativum extract on Trypanosoma brucei infected rats, Res. Pharmaceutical Biotechnol., 2011, 3, 2, 17-21. [all data]

Yusuf and Bewaji, 2011, 2
Yusuf, O.K.; Bewaji, C.O., GC-MS of volatile components of fermented wheat germ extract, J. Cereals Oilseeds, 2011, 2, 3, 38-42. [all data]

Staples and Zeiger, 2008
Staples, E.; Zeiger, K., On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]

Liu, Xu, et al., 2007
Liu, Y.; Xu, X.-L.; Zhou, G.-H., Comparative study of volatile compounds in traditional Chinese Nanjing marinated duck by different extraction techniques, Int. J. Food Sci. Technol., 2007, 42, 5, 543-550, https://doi.org/10.1111/j.1365-2621.2006.01264.x . [all data]

Ebrahimi and Hadjmohammadi, 2006
Ebrahimi, P.; Hadjmohammadi, M.R., Simultaneous modeling of the Kovats retention indices on phenyl OV stationary phases with different polarity using MLR and ANN, QSAR Comb. Sci., 2006, 25, 10, 836-845, https://doi.org/10.1002/qsar.200530145 . [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Finkelstein, Kurbatova, et al., 2002
Finkelstein, E.E.; Kurbatova, S.V.; Kolosova, E.A., Study of biological activity of structure analogies of adamantane, Proc. Samara State Univ., 2002, 26, 4, 121-128. [all data]

Poligne, Collignan, et al., 2002
Poligne, I.; Collignan, A.; Trystram, G., Effects of salting, drying, cooking, and smoking operations on volatile compound formation and collor patterns in pork, Food Eng. Physical Properties, 2002, 67, 8, 2976-2986. [all data]

Cooke, Hassoun, et al., 2001
Cooke, K.M.; Hassoun, S.; Sanders, S.M.; Pilling, M.J., Identification and quantification of volatile organic compounds found in a eucalyptus forest during FIELDVOC'94 in Portugal, Chemosphere Global Change Science, 2001, 3, 3, 249-257, https://doi.org/10.1016/S1465-9972(01)00008-3 . [all data]

Luo and Agnew, 2001
Luo, J.; Agnew, M.P., Gas characteristics before and after biofiltration treating odorous emissions from animal rendering processes, Environ. Technol., 2001, 22, 9, 1091-1103, https://doi.org/10.1080/09593332208618220 . [all data]

Zhu and Wang, 2001
Zhu, X.; Wang, W., The relationship between partition coefficients of hydrocarbons and their retention indices, Acta Scientific Circumstantiae, 2001, 21, 5, 631-633. [all data]

Spieksma, 1999
Spieksma, W., Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool, J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2 . [all data]

Zenkevich, 1998
Zenkevich, I.G., Non-Traditional Criteria for Gas-Chromatographic and Chromato-Mass-Spectrometric Identification of Organic Compounds, Zh. Anal. Khim., 1998, 53, 8, 828-835. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Peng, 1996
Peng, C.T., Gas chromatographic identification of aromatic hydrocarbons in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]

Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X., Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes, Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]

Zenkevich, 1996
Zenkevich, I.G., Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations, Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]

Sorimachi, Tanabe, et al., 1995
Sorimachi, J.; Tanabe, A.; Mitobe, H.; Kuniaki, K.; Masaaki, S., Programmed temperature retention indices for volatile organic compounds on headspace GC/MS analysis, Niigata-ken Eisei Kogai Kenkyusho Nenpo, 1995, 11, 75-79. [all data]

Xu, Chu, et al., 1995
Xu, X.; Chu, S.; Song, N., Application of chromatographic studies of air pollution in China, J. Chromatogr. A, 1995, 710, 1, 21-37, https://doi.org/10.1016/0021-9673(95)00173-K . [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Schuberth, 1994
Schuberth, J., Joint use of retention index and mass spectrum in postmortem tests for volatile organics by headspace capillary gas chromatography with ion-trap detection, J. Chromatogr. A, 1994, 674, 1-2, 63-71, https://doi.org/10.1016/0021-9673(94)85217-0 . [all data]

Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F . [all data]

Lou, Liu, et al., 1993
Lou, X.; Liu, X.; Zhou, L., Chiral recognition of enantiomeric amides on a diamide chiral stationary phase by gas chromatography, J. Chromatogr., 1993, 634, 2, 345-349, https://doi.org/10.1016/0021-9673(93)83024-M . [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

P'yanova, Zvereva, et al., 1987
P'yanova, V.P.; Zvereva, M.N.; Tsypysheva, LG.; Portnova, T.V.; Kruglov, E.A., Investigating the products of thiophane synthesis, Abstr. IX All-Union Conference on Gas Chromatography, Kuibyshev State University, Kuibyshev, 1987, 308. [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Robinson and Odell, 1971, 2
Robinson, P.G.; Odell, A.L., Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30, J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X . [all data]

Sun, Siepmann, et al., 2006
Sun, L.; Siepmann, J.I.; Klotz, W.L.; Schure, M.R., retention in gas-liquid chromatography with a polyethylene oxide stationary phase: molecular simulation and experiment, J. Chromatogr. A, 2006, 1126, 1-2, 373-380, https://doi.org/10.1016/j.chroma.2006.05.084 . [all data]

Nesterov, Nesterova, et al., 2000
Nesterov, I.A.; Nesterova, T.N.; Pimerzin, A.A.; Tsvetkov, V.S., Thermodynamics of alkylbenzene sorption and evaporation. IV. Enthalpies of evaporation and thermodynamics chracteristics of sorption by stationary phases OV-101 and PEG-40M, Izvestia vysshikh uchebnykh zavedenii. Khimia i khimicheskaia tekhnologia (Chemistry and chemical technology), 2000, 43, 4, 39-45. [all data]

Sutter, Peterson, et al., 1997
Sutter, J.M.; Peterson, T.A.; Jurs, P.C., Prediction of gas chromatographic retention indices of alkylbenzenes, Anal. Chim. Acta., 1997, 342, 2-3, 113-122, https://doi.org/10.1016/S0003-2670(96)00578-8 . [all data]

Shimadzu, 2012
Shimadzu, Pharmaceutical Related, Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applications_pdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]

Ganeko, Shoda, et al., 2008
Ganeko, N.; Shoda, M.; Hirohara, I.; Bhadra, A.; Ishida, T.; Matsuda, H.; Takamura, H.; Matoba, T., Analysis of volatile flavor compounds of sardine (Sardinops melanostica) by solid phase microextraction, J. Food Sci., 2008, 73, 1, s83-s88, https://doi.org/10.1111/j.1750-3841.2007.00608.x . [all data]

Chida, Sone, et al., 2004
Chida, M.; Sone, Y.; Tamura, H., Aroma characteristics of stored tobacco cut leaves analyzed by a high vacuum distillation and canister system, J. Agric. Food Chem., 2004, 52, 26, 7918-7924, https://doi.org/10.1021/jf049223p . [all data]

Shimadzu Corporation, 2003
Shimadzu Corporation, Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]

Kasali, Winterhalter, et al., 2002
Kasali, A.A.; Winterhalter, P.; Adio, A.M.; Knapp, H.; Bonnlander, B., Chromenes in Ageratum conyzoides L., Flavour Fragr. J., 2002, 17, 4, 247-250, https://doi.org/10.1002/ffj.1099 . [all data]

Duque, Bonilla, et al., 2001
Duque, C.; Bonilla, A.; Bautista, E.; Zea, S., Exudation of low molecular wight compounds (thiobismethane, methyl isocyanide, amd methyl isothiocyanate) as a possible chemical defense mechanism in the marine sponge Ircinia felix, Biochem. Systematics Ecol., 2001, 29, 5, 459-467, https://doi.org/10.1016/S0305-1978(00)00081-8 . [all data]

Horiuchi, Umano, et al., 1998
Horiuchi, M.; Umano, K.; Shibamoto, T., Analysis of volatile compounds formed from fish oil heated with cysteine and trimethylamine oxide, J. Agric. Food Chem., 1998, 46, 12, 5232-5237, https://doi.org/10.1021/jf980482m . [all data]

Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T., Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system, J. Agric. Food Chem., 1995, 43, 8, 2212-2218, https://doi.org/10.1021/jf00056a046 . [all data]

Herain, MRAVEC, et al., 1991
Herain, J.; MRAVEC, D.; SCHNIERER, A., identification of the components of the reaction mixtures from transalkylation of the waste fraction of diisopropylbenzenes by capillary GC and GC-MS, Chem. Listy, 1991, 85, 5, 535-538. [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Vekiari, Orepoulou, et al., 2010
Vekiari, S.A.; Orepoulou, V.; Kourkoutas, Y.; Kamoun, N.; Msallem, M.; Psimouli, V.; Arapoglou, D., Characterization and seasonal variations of the quality of virgin olive oil of the Thoumbolia and Koroneiki varieties from Southern Greece, Grasas y Aceites, 2010, 61, 3, 221-231, https://doi.org/10.3989/gya.108709 . [all data]

Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M., Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese, Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041 . [all data]

Narain, Galvao, et al., 2007
Narain, N.; Galvao, M. deS.; Ferreira, D.DaS.; Navarro, D.M.A.F., Flavor biogeneration in Mangaba (Hancornia speciosa Gomes) fruit, BioEng. Campinas, 2007, 1, 1, 25-31. [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
C_p,solid	Constant pressure heat capacity of solid
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_liquid	Entropy of liquid at standard conditions
S°_{solid,1 bar}	Entropy of solid at standard conditions (1 bar)
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

Benzene

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Constant pressure heat capacity of solid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Reactions 1 to 50

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Enthalpy of reaction

Free energy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Proton affinity at 298K

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Free energy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Free energy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

Enthalpy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

Help

Credits

Additional Data

UV/Visible spectrum

Spectrum

Help

Credits

Additional Data

Vibrational and/or electronic energy levels

Symmetry: D6h Symmetry Number σ = 12

Symmetry: D_6h Symmetry Number σ = 12