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
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Information on this page:
Other data available:
- Reaction thermochemistry data: reactions 51 to 99
- Henry's Law data
- UV/Visible spectrum
- Vibrational and/or electronic energy levels
- Fluid Properties
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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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)

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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)

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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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), 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, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), 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, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), 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)

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

Spectrum

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Additional Data

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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.

Gas Chromatography

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), 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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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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]

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Notes

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), 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
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.
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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

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

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Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

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

Kovats' RI, polar column, isothermal

Kovats' RI, polar column, temperature ramp

Kovats' RI, polar column, custom temperature program

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

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