Cyclohexane

Formula: C₆H₁₂
Molecular weight: 84.1595
IUPAC Standard InChI: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
IUPAC Standard InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N
CAS Registry Number: 110-82-7
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:
Other names: Benzene, hexahydro-; Hexahydrobenzene; Hexamethylene; Hexanaphthene; Cicloesano; Cykloheksan; Rcra waste number U056; UN 1145; NSC 406835
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Gas phase thermochemistry data

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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	-29.78	kcal/mol	N/A	Spitzer and Huffman, 1947	Value computed using Δ_fH_liquid° value of -157.7±1.8 kj/mol from Spitzer and Huffman, 1947 and Δ_vapH° value of 33.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Δ_fH°_gas	-29.43 ± 0.19	kcal/mol	Ccb	Prosen, Johnson, et al., 1946	ALS
Δ_fH°_gas	-29.47	kcal/mol	N/A	Moore, Renquist, et al., 1940	Value computed using Δ_fH_liquid° value of -156.4±1.3 kj/mol from Moore, Renquist, et al., 1940 and Δ_vapH° value of 33.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Quantity	Value	Units	Method	Reference	Comment
S°_gas	71.269	cal/mol*K	N/A	Beckett C.W., 1947	Close value of S(298.15 K)=298.78(0.75) J/mol*K was obtained by [43ASTSZA] from calorimetric data.; GT

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
8.143	50.	Dorofeeva O.V., 1986	There is an appreciable difference (up to 3.0-4.5 J/mol*K) between selected values of S(T) and Cp(T) and earlier statistically calculated values [ Brickwedde F.G., 1946, Beckett C.W., 1947, Kilpatrick J.E., 1947, Lippincott E.R., 1966] at high temperatures. It is due to using the most reliable molecular constants in [ Dorofeeva O.V., 1986].; GT
10.18	100.
13.10	150.
16.50	200.
22.75	273.15
25.18 ± 0.48	298.15
25.361	300.
35.526	400.
45.096	500.
53.389	600.
60.378	700.
66.217	800.
71.085	900.
75.148	1000.
78.552	1100.
81.417	1200.
83.841	1300.
85.908	1400.
87.679	1500.

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
33.000	370.	Spitzer R., 1946	Please also see Montgomery J.B., 1942.; GT
34.21 ± 0.30	384.
35.000	390.
36.800	410.
38.67 ± 0.40	428.
41.70 ± 0.40	460.
45.30 ± 0.50	495.
47.00 ± 0.50	521.
49.30 ± 0.50	544.

Condensed phase thermochemistry data

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Data compiled as indicated in comments:
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	-37.68 ± 0.42	kcal/mol	Ccb	Spitzer and Huffman, 1947	ALS
Δ_fH°_liquid	-37.34 ± 0.19	kcal/mol	Ccb	Prosen, Johnson, et al., 1946	ALS
Δ_fH°_liquid	-37.39 ± 0.32	kcal/mol	Ccb	Moore, Renquist, et al., 1940	Reanalyzed by Cox and Pilcher, 1970, Original value = -37.69 kcal/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-938. ± 5.	kcal/mol	AVG	N/A	Average of 7 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	48.731	cal/mol*K	N/A	Aston, Szasa, et al., 1943	DH
S°_liquid	48.841	cal/mol*K	N/A	Ruehrwein and Huffman, 1943	DH
S°_liquid	49.21	cal/mol*K	N/A	Parks, Huffman, et al., 1930	Extrapolation below 90 K, 50.54 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
37.285	298.15	Trejo, Costas, et al., 1991	DH
37.500	298.15	Lainez, Rodrigo, et al., 1989	DH
34.39	326.5	Voss and Sloan, 1989	T = 326.5 to 450.0 K. Unsmoothed experimental datum.; DH
37.275	298.15	Saito and Tanaka, 1988	DH
36.883	298.15	Shiohama, Ogawa, et al., 1988	DH
37.077	293.15	Kalali, Kohler, et al., 1987	T = 293.15, 313.15 K.; DH
37.538	298.15	Jimenez, Romani, et al., 1986	DH
37.249	298.15	Ortega, 1986	DH
37.40	298.15	Nkinamubanzi, Charlet, et al., 1985	DH
37.275	298.15	Tanaka, Nakamichi, et al., 1985	DH
37.000	293.15	Siddiqi, Svejda, et al., 1983	DH
37.38	298.15	Grolier, Inglese, et al., 1982	DH
37.28	298.15	Tanaka, 1982	T = 293.15, 298.15, 303.15 K. Data at three temperatures.; DH
37.3205	298.15	Fortier, D'Arcy, et al., 1979	DH
37.314	298.15	Vesely, Zabransky, et al., 1979	DH
37.38	298.15	Wilhelm, Grolier, et al., 1979	DH
37.369	298.15	Grolier, Wilhelm, et al., 1978	DH
37.45	298.	Safir, 1978	T = 298 to 313 K. Data calculated from equation Cp = 1.7493 + 0.00452 T kJ/kg*K.; DH
37.314	298.15	Vesely, Svoboda, et al., 1977	T = 298 to 318 K.; DH
37.302	298.15	Fortier, Benson, et al., 1976	DH
37.3016	298.15	Fortier and Benson, 1976	DH
37.333	298.15	Jolicoeur, Boileau, et al., 1975	DH
36.998	293.15	Wilhelm, Zettler, et al., 1974	T = 273 to 323 K.; DH
38.15	298.15	Subrahmanyam and Rajagopal, 1973	T = 298 to 323 K.; DH
37.09	298.15	Wilhelm, Schano, et al., 1969	Temperature 20, 30, and 40°C.; DH
37.17	298.	Recko, 1968	T = 24 to 40°C, equation only.; DH
36.551	298.	Nikolaev, Rabinovich, et al., 1966	T = 10 to 50°C.; DH
37.120	298.00	Moelwyn-Hughes and Thorpe, 1964	T = 297 to 327 K.; DH
37.09	311.	Swietoslawski and Zielenkiewicz, 1960	Mean value 20 to 56°C.; DH
36.85	300.	Auerbach, Sage, et al., 1950	T = 300 to 366 K. Cp given as 0.4378 Btu/lb*R at 80°F.; DH
37.249	295.	Aston, Szasa, et al., 1943	T = 12 to 293 K.; DH
37.359	298.15	Ruehrwein and Huffman, 1943	T = 13 to 302 K.; DH
24.00	304.2	Phillip, 1939	DH
34.39	298.9	Parks, Huffman, et al., 1930	T = 92 to 299 K. Value is unsmoothed experimental datum.; DH
42.09	298.	Dejardin, 1919	T = 22 to 50°C.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity	Value	Units	Method	Reference	Comment
T_boil	353.9 ± 0.2	K	AVG	N/A	Average of 93 out of 116 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	279.6 ± 0.3	K	AVG	N/A	Average of 38 out of 47 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	279.7 ± 0.4	K	AVG	N/A	Average of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_c	554. ± 1.	K	AVG	N/A	Average of 18 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	40.1 ± 0.5	atm	AVG	N/A	Average of 8 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.308	l/mol	N/A	Daubert, 1996
V_c	0.309	l/mol	N/A	Young, 1972	Uncertainty assigned by TRC = 0.003 l/mol; TRC
Quantity	Value	Units	Method	Reference	Comment
ρ_c	3.24 ± 0.03	mol/l	N/A	Daubert, 1996
ρ_c	3.26	mol/l	N/A	Teja and Anselme, 1990	Uncertainty assigned by TRC = 0.07 mol/l; TRC
ρ_c	3.230	mol/l	N/A	Simon, 1957	Uncertainty assigned by TRC = 0.04 mol/l; TRC
ρ_c	3.250	mol/l	N/A	Young, 1910	Uncertainty assigned by TRC = 0.02 mol/l; TRC
ρ_c	3.247	mol/l	N/A	Young and Fortey, 1899	Uncertainty assigned by TRC = 0.06 mol/l; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	7.91 ± 0.09	kcal/mol	AVG	N/A	Average of 19 out of 21 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
7.163	353.9	N/A	Majer and Svoboda, 1985
7.9670	298.15	N/A	Aston, Szasa, et al., 1943	P = 13.18 kPa; DH
7.91	315.	EB	Gierycz, Kosowski, et al., 2009	Based on data from 296. to 353. K.; AC
7.82	315.	N/A	Lubomska, Banas, et al., 2002	Based on data from 300. to 345. K.; AC
7.62	324.	EB	Diogo, Santos, et al., 1995	Based on data from 313. to 336. K.; AC
7.70	375.	N/A	Lee and Holder, 1993	Based on data from 360. to 470. K.; AC
7.72	314.	C	Dong, Lin, et al., 1988	AC
7.43	332.	C	Dong, Lin, et al., 1988	AC
7.24	345.	C	Dong, Lin, et al., 1988	AC
7.17	355.	C	Dong, Lin, et al., 1988	AC
7.39	368.	A	Stephenson and Malanowski, 1987	Based on data from 353. to 414. K.; AC
7.07	427.	A	Stephenson and Malanowski, 1987	Based on data from 412. to 491. K.; AC
7.07	504.	A	Stephenson and Malanowski, 1987	Based on data from 489. to 553. K.; AC
7.86	308.	A,MM	Stephenson and Malanowski, 1987	Based on data from 293. to 355. K. See also Willingham, Taylor, et al., 1945.; AC
7.72 ± 0.02	313.	C	Majer, Svoboda, et al., 1979	AC
7.46 ± 0.02	333.	C	Majer, Svoboda, et al., 1979	AC
7.41 ± 0.02	338.	C	Majer, Svoboda, et al., 1979	AC
7.27 ± 0.02	348.	C	Majer, Svoboda, et al., 1979	AC
7.19 ± 0.02	353.	C	Majer, Svoboda, et al., 1979	AC
7.70 ± 0.02	313.	C	Svoboda, Veselý, et al., 1973	AC
7.62 ± 0.02	323.	C	Svoboda, Veselý, et al., 1973	AC
7.43 ± 0.02	333.	C	Svoboda, Veselý, et al., 1973	AC
7.31 ± 0.02	343.	C	Svoboda, Veselý, et al., 1973	AC
7.19 ± 0.02	354.	C	Svoboda, Veselý, et al., 1973	AC
7.77	318.	N/A	Gaw and Swinton, 1968	Based on data from 303. to 343. K.; AC
7.86	313.	N/A	Cruickshank and Cutler, 1967	Based on data from 298. to 348. K.; AC
7.84	331.	N/A	Marinichev and Susarev, 1965	Based on data from 316. to 354. K.; AC
7.50 ± 0.02	324.	C	McCullough, Person, et al., 1951	AC
7.27 ± 0.02	346.	C	McCullough, Person, et al., 1951	AC
7.19	354.	N/A	Spitzer and Pitzer, 1946	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)	292. to 422.
A (kcal/mol)	10.35
α	-0.1437
β	0.4512
T_c (K)	553.4
Reference	Majer and Svoboda, 1985

Entropy of vaporization

Δ_vapS (cal/mol*K)	Temperature (K)	Reference	Comment
26.721	298.15	Aston, Szasa, et al., 1943	P; DH

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
323. to 523.	4.13412	1316.554	-35.581	Kerns, Anthony, et al., 1974	Coefficents calculated by NIST from author's data.
303. to 343.	3.9863	1216.93	-48.621	Gaw and Swinton, 1968, 2	Coefficents calculated by NIST from author's data.
315.70 to 353.90	3.16554	780.637	-107.29	Marinichev and Susarev, 1965, 2	Coefficents calculated by NIST from author's data.
293.06 to 354.73	3.96417	1203.526	-50.287	Williamham, Taylor, et al., 1945

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
6.60	265.	A	Stephenson and Malanowski, 1987	Based on data from 223. to 280. K.; AC
11.1	186.	B	Bondi, 1963	AC
8.89	273.	N/A	Jones, 1960	Based on data from 268. to 278. K.; AC
9.01	248.	A	Stull, 1947	Based on data from 228. to 268. K.; AC
8.72	274.	A	Rotinjanz and Nagornow, 1934	Based on data from 269. to 279. K.; AC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Reference	Comment
0.641	279.8	Domalski and Hearing, 1996	AC

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
8.65	186.1	Domalski and Hearing, 1996	CAL
2.29	279.8	Domalski and Hearing, 1996	CAL

Enthalpy of phase transition

ΔH_trs (kcal/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
1.598	186.09	crystaline, II	crystaline, I	Aston, Szasa, et al., 1943	DH
0.6281	279.84	crystaline, I	liquid	Aston, Szasa, et al., 1943	DH
1.6108	186.1	crystaline, II	crystaline, I	Ruehrwein and Huffman, 1943	DH
0.63979	279.82	crystaline, I	liquid	Ruehrwein and Huffman, 1943	DH
1.630	186.4	crystaline, II	crystaline, I	Ziegler and Andrews, 1942	DH
0.6520	279.4	crystaline, I	liquid	Ziegler and Andrews, 1942	DH
1.490	185.9	crystaline, II	crystaline, I	Parks, Huffman, et al., 1930	DH
0.5791	279.3	crystaline, I	liquid	Parks, Huffman, et al., 1930	DH

Entropy of phase transition

ΔS_trs (cal/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
8.587	186.09	crystaline, II	crystaline, I	Aston, Szasa, et al., 1943	DH
2.24	279.84	crystaline, I	liquid	Aston, Szasa, et al., 1943	DH
8.654	186.1	crystaline, II	crystaline, I	Ruehrwein and Huffman, 1943	DH
2.29	279.82	crystaline, I	liquid	Ruehrwein and Huffman, 1943	DH
8.745	186.4	crystaline, II	crystaline, I	Ziegler and Andrews, 1942	DH
2.33	279.4	crystaline, I	liquid	Ziegler and Andrews, 1942	DH
8.014	185.9	crystaline, II	crystaline, I	Parks, Huffman, et al., 1930	DH
2.07	279.3	crystaline, I	liquid	Parks, Huffman, et al., 1930	DH

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

Reaction thermochemistry data

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

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess

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.

Individual Reactions

+ = Cyclohexane

By formula: C₆H₁₀ + H₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-28. ± 1.	kcal/mol	AVG	N/A	Average of 8 values; Individual data points

+ Cyclohexane = ( • )

By formula: H₄N⁺ + C₆H₁₂ = (H₄N⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated, DG<, Δ_rH<; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated, DG<, Δ_rH<; M

Free energy of reaction

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

C₆H₆⁺ + Cyclohexane = (C₆H₆⁺ • )

By formula: C₆H₆⁺ + C₆H₁₂ = (C₆H₆⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.	cal/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.2	295.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated; M

C₆H₁₁^- + = Cyclohexane

By formula: C₆H₁₁^- + H⁺ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	418.3 ± 2.0	kcal/mol	Bran	Peerboom, Rademaker, et al., 1992	gas phase; B
Δ_rH°	406.82 ± 0.90	kcal/mol	G+TS	Bohme, Lee-Ruff, et al., 1972	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	409.5 ± 2.2	kcal/mol	H-TS	Peerboom, Rademaker, et al., 1992	gas phase; B
Δ_rG°	>398.00	kcal/mol	IMRB	Bohme, Lee-Ruff, et al., 1972	gas phase; B

2 + = Cyclohexane

By formula: 2H₂ + C₆H₈ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-53.64 ± 0.29	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Glacial acetic acid; ALS
Δ_rH°	-54.88 ± 0.10	kcal/mol	Chyd	Kistiakowsky, Ruhoff, et al., 1936	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -55.4 ± 0.1 kcal/mol; At 355 °K; ALS

2 + = Cyclohexane

By formula: 2H₂ + C₆H₈ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-55.6	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase; ALS
Δ_rH°	-53.90 ± 0.33	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Glacial acetic acid; ALS

C₃H₉Si⁺ + Cyclohexane = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₆H₁₂ = (C₃H₉Si⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.9	kcal/mol	PHPMS	Li and Stone, 1989	gas phase; condensation; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	48.1	cal/mol*K	PHPMS	Li and Stone, 1989	gas phase; condensation; M

3 + = Cyclohexane

By formula: 3H₂ + C₆H₆ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-49.06 ± 0.15	kcal/mol	Chyd	Kistiakowsky, Ruhoff, et al., 1936	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -49.80 ± 0.15 kcal/mol; At 355 °K; ALS

+ = Cyclohexane +

By formula: HI + C₆H₁₁I = C₆H₁₂ + I₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-7.8 ± 2.0	kcal/mol	Cm	Brennan and Ubbelohde, 1956	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -6.8 ± 1.0 kcal/mol; ALS

+ Cyclohexane = ( • )

By formula: Li⁺ + C₆H₁₂ = (Li⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.	kcal/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M

= Cyclohexane

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-3.510	kcal/mol	Eqk	Glasebrook and Lovell, 1939	liquid phase; Heat of isomerization; ALS

2 + = Cyclohexane

By formula: 2H₂ + C₆H₈ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-102.0 ± 1.9	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase; ALS

= Cyclohexane +

By formula: C₆H₁₂O = C₆H₁₂ + H₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	15.2 ± 0.55	kcal/mol	Eqk	Fedoseenko, Yursha, et al., 1983	gas phase; At 502 K; ALS

+ = Cyclohexane +

By formula: C₆H₁₁Cl + HCl = C₆H₁₂ + Cl₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-34.20	kcal/mol	Cm	Kirkbride, 1956	liquid phase; ALS

Cyclohexane =

By formula: C₆H₁₂ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	4.32 ± 0.28	kcal/mol	Eqk	Kabo and Andreevskii, 1973	liquid phase; ALS

Henry's Law data

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Data compiled by: Rolf Sander

Henry's Law constant (water solution)

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

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
0.0051		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0055	3200.	X	N/A
0.0062	710.	X	N/A
0.0056		L	N/A
0.0051		V	N/A

Gas phase ion energetics data

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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
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 C₆H₁₂⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	9.88 ± 0.03	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	164.2	kcal/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	159.4	kcal/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.80 ± 0.05	EI	Holmes and Lossing, 1991	LL
10.0 ± 0.03	EI	Arimura and Yoshikawa, 1984	LBLHLM
9.82	EQ	Sieck and Mautner(Meot-Ner), 1982	LBLHLM
9.88 ± 0.10	EQ	Lias, 1982	LBLHLM
9.88	PE	Kovac and Klasinc, 1978	LLK
9.88 ± 0.02	PE	Bieri, Burger, et al., 1977	LLK
9.88	EI	Lossing and Traeger, 1975	LLK
9.89 ± 0.01	PE	Rang, Paldoia, et al., 1974	LLK
9.83 ± 0.05	EI	Puttemans, 1974	LLK
9.84	PE	Puttemans, 1974	LLK
9.88 ± 0.01	PI	Sergeev, Akopyan, et al., 1973	LLK
9.87	PE	Ikuta, Yoshihara, et al., 1973	LLK
9.88 ± 0.01	S	Raymonda, 1972	LLK
9.89	PE	Demeo and Yencha, 1970	RDSH
9.81	PE	Dewar and Worley, 1969	RDSH
9.79	PE	Al-Joboury and Turner, 1964	RDSH
9.88 ± 0.02	PI	Watanabe, 1957	RDSH
11.0 ± 0.2	EI	Hustrulid, Kusch, et al., 1938	RDSH
10.32	PE	Kimura, Katsumata, et al., 1981	Vertical value; LLK
10.3 ± 0.1	PE	Bieri, Burger, et al., 1977	Vertical value; LLK
10.3	PE	Bruckmann and Klessinger, 1973	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₃H₅⁺	13.20 ± 0.08	C₃H₇	EI	Rabbih, Selim, et al., 1981	LLK
C₃H₆⁺	12.00 ± 0.07	C₃H₆	EI	Rabbih, Selim, et al., 1981	LLK
C₃H₆⁺	11.23 ± 0.04	C₃H₆	PI	Sergeev, Akopyan, et al., 1973	LLK
C₃H₇⁺	13.50 ± 0.08	C₃H₅	EI	Rabbih, Selim, et al., 1981	LLK
C₃H₇⁺	11.49 ± 0.03	C₃H₅	PI	Sergeev, Akopyan, et al., 1973	LLK
C₄H₇⁺	11.21 ± 0.04	C₂H₅	PI	Sergeev, Akopyan, et al., 1973	LLK
C₄H₈⁺	11.15 ± 0.03	C₂H₄	EI	Rabbih, Selim, et al., 1981	LLK
C₄H₈⁺	11.45	C₂H₄	EI	Puttemans, 1974	LLK
C₄H₈⁺	11.08 ± 0.01	C₂H₄	PI	Sergeev, Akopyan, et al., 1973	LLK
C₅H₉⁺	9.88	CH₃	EI	Lossing and Traeger, 1975, 2	LLK
C₅H₉⁺	≤11.06	CH₃	EI	Lossing and Traeger, 1975	LLK
C₅H₉⁺	11.15	CH₃	EI	Puttemans, 1974	LLK
C₅H₉⁺	11.07 ± 0.04	CH₃	PI	Sergeev, Akopyan, et al., 1973	LLK
C₆H₁₁⁺	11.32 ± 0.05	H	PI	Sergeev, Akopyan, et al., 1973	LLK
C₆H₁₁⁺	11.66	H	EI	Pottie, Harrison, et al., 1961	RDSH

De-protonation reactions

C₆H₁₁^- + = Cyclohexane

By formula: C₆H₁₁^- + H⁺ = C₆H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	418.3 ± 2.0	kcal/mol	Bran	Peerboom, Rademaker, et al., 1992	gas phase; B
Δ_rH°	406.82 ± 0.90	kcal/mol	G+TS	Bohme, Lee-Ruff, et al., 1972	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	409.5 ± 2.2	kcal/mol	H-TS	Peerboom, Rademaker, et al., 1992	gas phase; B
Δ_rG°	>398.00	kcal/mol	IMRB	Bohme, Lee-Ruff, et al., 1972	gas phase; B

Ion clustering data

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Data compiled by: 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

C₃H₉Si⁺ + Cyclohexane = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₆H₁₂ = (C₃H₉Si⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	37.9	kcal/mol	PHPMS	Li and Stone, 1989	gas phase; condensation
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	48.1	cal/mol*K	PHPMS	Li and Stone, 1989	gas phase; condensation

C₆H₆⁺ + Cyclohexane = (C₆H₆⁺ • )

By formula: C₆H₆⁺ + C₆H₁₂ = (C₆H₆⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	11.2	kcal/mol	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	27.	cal/mol*K	N/A	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
3.2	295.	PHPMS	Meot-Ner (Mautner), Hamlet, et al., 1978	gas phase; Entropy change calculated or estimated

+ Cyclohexane = ( • )

By formula: H₄N⁺ + C₆H₁₂ = (H₄N⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.	kcal/mol	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated, DG<, Δ_rH<
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	20.	cal/mol*K	N/A	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated, DG<, Δ_rH<

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
2.8	317.	PHPMS	Deakyne and Meot-Ner (Mautner), 1985	gas phase; Entropy change calculated or estimated, DG<, Δ_rH<

+ Cyclohexane = ( • )

By formula: Li⁺ + C₆H₁₂ = (Li⁺ • C₆H₁₂)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	24.	kcal/mol	ICR	Staley and Beauchamp, 1975	gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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

Mass spectrum (electron ionization)

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

Spectrum

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Additional Data

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

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	NIST Mass Spectrometry Data Center, 1998.
NIST MS number	291493

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

UV/Visible spectrum

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

Spectrum

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Additional Data

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Download spectrum in JCAMP-DX format.

Source	Pickett, Muntz, et al., 1951
Owner	INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference	RAS UV No. 193
Instrument	Hilger prism spectrograph
Melting point	6.6
Boiling point	80.7

Vibrational and/or electronic energy levels

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Data compiled by: Takehiko Shimanouchi

Symmetry: D_3d Symmetry Number σ = 6

Sym.	No	Approximate	Selected Freq.		Infrared		Raman		Comments

Species		type of mode	Value	Rating	Value	Phase	Value	Phase

a₁g	1	CH2 a-str	2930	E	ia		2938 VS p	liq.	FR(2ν₃)
a₁g	1	CH2 a-str	2930	E	ia		2923 VS p	liq.	FR(2ν₃)
a₁g	2	CH2 s-str	2852	C	ia		2852 VS p	liq.
a₁g	3	CH2 scis	1465	C	ia		1465 M p	liq.
a₁g	4	CH2 rock	1157	C	ia		1157 S p	liq.
a₁g	5	CC str	802	C	ia		802 VS p	liq.
a₁g	6	CCC deform + CC torsion	383	C	ia		383 M p	liq.
a₁u	7	CH2 twist	1383	C	1383	gas	ia		Observed in the crystalline state at about ν₉₀ K
a₁u	8	CH2 wag	1157	C	1157	gas	ia		Observed in the crystalline state at about ν₉₀ K
a₁u	9	CC str + CC torsion	1057	C	1057	gas	ia		Observed in the crystalline state at about ν₉₀ K
a₂g	10	CH2 wag	1437	C	1437	gas	ia		Observed in the crystalline state at about ν₉₀ K
a₂g	11	CH2 twist	1090	C	1090	gas	ia		Observed in the crystalline state at about ν₉₀ K
a₂u	12	CH2 a-str	2915	E	2915 M	gas	ia
a₂u	13	CH2 s-str	2860	E			ia		SF(ν₂,ν₁₈,ν₂₆)
a₂u	14	CH2 scis	1437	C	1437 M	gas	ia
a₂u	15	CH2 rock	1030	D	1040 M	gas	ia		FR(ν₂₃+ν₃₂)
a₂u	15	CH2 rock	1030	D	1016 M	gas	ia		FR(ν₂₃+ν₃₂)
a₂u	16	CCC deform	523	A	523 W	gas	ia
eg	17	CH2 a-str	2930	E	ia				SF(ν₁,ν₁₂,ν₂₅)
eg	18	CH2 s-str	2897	E	ia		2897 M vb
eg	19	CH2 scis	1443	C	ia		1443 S dp
eg	20	CH2 wag	1347	C	ia		1347 S dp
eg	21	CH2 twist	1266	C	ia		1266 VS dp
eg	22	CC str	1027	C	ia		1027 VS dp
eg	23	CH2 rock	785	C	785	gas	785 VW dp	liq.	Observed in the crystalline state at about ν₉₀ K
eg	24	CCC deform + CC torsion	426	C	ia		426 S dp	liq.
eu	25	CH2 a-str	2933	A	2933 VS	gas	ia
eu	26	CH2 s-str	2863	A	2863 VS	gas	ia
eu	27	CH2 scis	1457	A	1457 VS	gas	ia
eu	28	CH2 wag	1355	B	1355 W	gas	ia
eu	29	CH2 twist	1261	A	1261 S	gas	ia
eu	30	CH2 rock	907	B	907 S	gas	ia
eu	31	CC str	863	A	863 S	gas	ia
eu	32	CCC deform + CC torsion	248	C	248 VW	liq.	ia

Source: Shimanouchi, 1972

Notes

Very strong

Strong

Medium

Weak

Very weak

Inactive

Very broad

Polarized

Depolarized

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

Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.

0~1 cm^-1 uncertainty

1~3 cm^-1 uncertainty

3~6 cm^-1 uncertainty

6~15 cm^-1 uncertainty

15~30 cm^-1 uncertainty

Gas Chromatography

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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	HP-1	0.	664.1	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	10.	660.1	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	20.	665.7	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	30.	662.3	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	40.	661.2	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	50.	661.9	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Capillary	HP-1	60.	662.9	Wang, Liu, et al., 2005	30. m/0.25 mm/0.25 μm
Packed	PMS-1000	90.	681.	Arutyunov, Kudryashov, et al., 2004	N2, Chromaton N-AW-DMCS; Column length: 2. m
Packed	SE-30	160.	676.	Kurbatova, Finkelstein, et al., 2004	Chromaton N-AW; Column length: 1. m
Capillary	Squalane	70.	667.14	Soják, 2004	H2
Capillary	Squalane	70.	667.02	Soják, 2004	N2
Capillary	Squalane	70.	667.46	Soják, 2004	N2
Capillary	OV-101	40.	656.8	Chen, Liang, et al., 2001	He; Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-101	60.	662.2	Chen, Liang, et al., 2001	He; Column length: 50. m; Column diameter: 0.25 mm
Packed	C78, Branched paraffin	130.	693.6	Dallos, Sisak, et al., 2000	He; Column length: 3.3 m
Capillary	HP-101	60.	663.35	Garay, 2000	50. m/0.2 mm/0.2 μm, H2
Capillary	OV-101	110.	668.	Zhuravleva, 2000	50. m/0.3 mm/0.4 μm, He
Capillary	OV-101	0.	649.	Skrbic, 1997
Capillary	OV-101	0.	650.	Skrbic, 1997
Capillary	CP Sil 2	60.	672.0	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	OV-101	150.	688.3	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	OV-101	180.	697.9	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	Squalane	25.	658.	Hilal, Carreira, et al., 1994
Capillary	CP Sil 5 CB	20.	655.7	Do and Raulin, 1992	25. m/0.15 mm/2. μm, H2
Packed	C78, Branched paraffin	130.	692.8	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Capillary	BP-1	0.	649.	Skrbic and Cvejanov, 1992	15. m/0.53 mm/1.0 μm, N2
Packed	Apolane	130.	694.	Dutoit, 1991	Column length: 3.7 m
Capillary	OV-1	45.	660.6	Guan, Kiraly, et al., 1989	20. m/0.32 mm/1.2 μm, He
Capillary	OV-1	65.	665.6	Guan, Kiraly, et al., 1989	20. m/0.32 mm/1.2 μm, He
Capillary	OV-1	45.	660.6	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	OV-1	65.	665.6	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	Squalane	50.	662.7	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	Squalane	70.	667.1	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	HP-1	60.	663.	Bangjie, Yijian, et al., 1988	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	664.	Bangjie, Yijian, et al., 1988	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	OV-101	40.	658.	Laub and Purnell, 1988
Capillary	OV-101	60.	663.	Laub and Purnell, 1988
Capillary	OV-101	80.	668.	Laub and Purnell, 1988
Packed	OV-101	120.	676.	Litvinenko, Isakova, et al., 1988	He, Chromaton W AW; Column length: 2.4 m
Capillary	Squalane	50.	662.	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	70.	666.4	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	OV-1	100.	671.1	Engewald, Billing, et al., 1987	Column length: 50. m; Column diameter: 0.3 mm
Capillary	OV-101	100.	674.	Engewald, Topalova, et al., 1987	Column length: 50. m; Column diameter: 0.30 mm
Packed	Apolane	150.	680.	Evans and Haken, 1987	He, Chromosorb G AW DCMS; Column length: 3.7 m
Packed	Squalane	80.	669.	Fernández-Sánchez, García-Domínguez, et al., 1987	H2
Capillary	OV-101	40.	658.7	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	50.	660.9	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	60.	663.2	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	70.	665.5	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Packed	Apolane	150.	680.	Haken and Vernon, 1986	Chromosorb G AW DCMS; Column length: 3.7 m
Capillary	OV-1	100.	673.6	Anders, Anders, et al., 1985	55. m/0.21 mm/0.35 μm, N2
Packed	SE-30	180.	658.	Oszczapowicz, Osek, et al., 1985	N2, Chromosorb A AW; Column length: 3. m
Packed	SE-30	150.	685.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Capillary	OV-101	30.	656.	Chien, Furio, et al., 1983
Capillary	OV-101	40.	658.	Chien, Furio, et al., 1983
Capillary	OV-101	50.	660.	Chien, Furio, et al., 1983
Capillary	OV-101	60.	663.	Chien, Furio, et al., 1983
Capillary	OV-101	70.	665.	Chien, Furio, et al., 1983
Capillary	OV-101	80.	668.	Chien, Furio, et al., 1983
Capillary	OV-3	30.	664.5	Chien, Furio, et al., 1983, 2
Capillary	OV-3	40.	666.8	Chien, Furio, et al., 1983, 2
Capillary	OV-3	50.	669.2	Chien, Furio, et al., 1983, 2
Capillary	OV-3	60.	671.7	Chien, Furio, et al., 1983, 2
Capillary	OV-3	70.	674.4	Chien, Furio, et al., 1983, 2
Capillary	OV-3	80.	677.3	Chien, Furio, et al., 1983, 2
Capillary	DB-1	60.	663.7	Lubeck and Sutton, 1983	Column length: 60. m; Column diameter: 0.264 mm
Capillary	DB-1	60.	664.2	Lubeck and Sutton, 1983	60. m/0.259 mm/1. μm
Packed	SE-30	100.	675.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Capillary	OV-1	50.	661.	Anders, Scheller, et al., 1982	Column length: 55. m; Column diameter: 0.21 mm
Capillary	SE-30	130.	683.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	SE-30	80.	669.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Packed	Porapack Q	200.	639.	Goebel, 1982	N2
Packed	Apiezon L	70.	680.	Jaworski, 1982	Column length: 1.8 m
Capillary	OV-101	50.	661.	Johansen and Ettre, 1982	100. m/0.27 mm/0.20 μm
Capillary	OV-101	50.	661.	Johansen and Ettre, 1982	55. m/0.27 mm/0.9 μm
Capillary	OV-1	50.	662.	Johansen and Ettre, 1982	17.5 m/0.2 mm/0.15 μm
Capillary	SE-30	50.	661.	Johansen and Ettre, 1982	17.5 m/0.2 mm/0.15 μm
Capillary	SF-96	50.	661.	Johansen and Ettre, 1982	91.4 m/0.31 mm/0.20 μm
Capillary	OV-1	30.	657.2	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	40.	659.6	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	50.	662.1	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	60.	664.7	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	70.	667.4	Chien, Kopecni, et al., 1981	H2
Capillary	OV-1	80.	670.3	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	30.	657.	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	40.	659.1	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	50.	661.3	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	60.	663.6	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	70.	666.1	Chien, Kopecni, et al., 1981	H2
Capillary	SE-30	80.	668.8	Chien, Kopecni, et al., 1981	H2
Capillary	Squalane	50.	662.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	663.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	SE-30	80.	669.2	Albaigés and Guardino, 1980	He; Column length: 64. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	668.1	Albaigés and Guardino, 1980	He; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Apiezon L	100.	690.	Morishita, Okano, et al., 1980	Column length: 45. m; Column diameter: 0.25 mm
Packed	Squalane	100.	675.	Nabivach and Kirilenko, 1980	He, Chromaton N-AW-HMDS; Column length: 1. m
Capillary	Squalane	50.	662.7	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	663.9	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	662.78	Pacáková and Koslík, 1978	50. m/0.2 mm/0.5 μm, N2
Capillary	Squalane	100.	674.	Rang, Orav, et al., 1977	Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	664.	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	668.8	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	667.8	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Packed	Apolane	70.	675.6	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Squalane	100.	671.	Vernon and Edwards, 1975	N2, DCMS-treated Celite; Column length: 1. m
Capillary	Squalane	42.5	660.	Engewald, Epsch, et al., 1974	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	70.	668.	Engewald, Epsch, et al., 1974	N2; Column length: 100. m; Column diameter: 0.23 mm
Packed	SE-30	120.	663.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	SE-30	140.	668.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	SE-30	160.	674.	Pascal, Heintz, et al., 1974	Column length: 2. m
Capillary	Squalane	50.	663.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	667.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	674.	Besson and Gäumann, 1973	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Apiezon L	100.	689.	Besson and Gäumann, 1973	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Apiezon L	50.	669.	Gäumann and Bonzo, 1973	Column length: 100. m
Capillary	Squalane	50.	662.	Gäumann and Bonzo, 1973	Column length: 100. m
Capillary	OV-101	50.	662.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	OV-101	60.	664.	Pacáková, Hoch, et al., 1973	25. m/0.25 mm/1.39 μm, N2
Capillary	Squalane	100.	675.7	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	120.	682.	Agrawal, Tesarík, et al., 1972	N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Capillary	Squalane	86.	674.	Agrawal, Tesarík, et al., 1972	N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Packed	Apiezon L	130.	683.	Paris and Alexandre, 1972	Chromosorb W AW
Capillary	Vacuum Grease Oil (VM-4)	35.	662.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	665.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	667.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	669.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	672.	Sidorov, Petrova, et al., 1972
Capillary	Squalane	70.	663.8	Dimov and Schopov, 1971	Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	75.	667.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m
Packed	Squalane	100.	674.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m
Packed	Vacuum Grease Oil (VM-4)	35.	662.	Sidorov, Ivanova, et al., 1971
Packed	Apiezon L	100.	700.	Wagaman and Smith, 1971	CH4; Column length: 3. m
Capillary	Squalane	70.	667.	Cramers, Rijks, et al., 1970	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	667.	Cramers, Rijks, et al., 1970	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	667.	Cramers, Rijks, et al., 1970	Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	130.	676.	Mitra and Saha, 1970	N2
Packed	SE-30	80.	667.	Mitra and Saha, 1970	N2
Packed	Apiezon L	100.	688.	Brown, Chapman, et al., 1968	N2, DCMS-treated Chromosorb W; Column length: 2.3 m
Packed	Squalane	27.	658.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	664.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	668.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	672.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	22.	656.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	30.	658.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	40.	660.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	55.	664.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	70.	667.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	DC-200	100.	675.	Rohrschneider, 1966	Column length: 4. m
Packed	Squalane	100.	675.	Rohrschneider, 1966	Column length: 5. m
Packed	Apiezon L	100.	689.	Rohrschneider, 1966	Column length: 5. m
Capillary	Squalane	120.	675.	Schomburg, 1966
Capillary	Squalane	70.	668.	Schomburg, 1966
Capillary	Squalane	80.	668.	Schomburg, 1966
Packed	Methyl Silicone	130.	676.	Antheaume and Guiochon, 1965
Packed	Squalane	150.	688.	Schomburg, 1964
Packed	Apiezon L	70.	676.	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	OV-101	650.	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	678.	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	Petrocol DH-100	657.8	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	658.	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

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	160.	740.	Kurbatova, Finkelstein, et al., 2004	Chromaton N-AW; Column length: 1. m
Capillary	PEG 4000	100.	766.	Rang, Orav, et al., 1988
Capillary	PEG 4000	60.	748.	Rang, Orav, et al., 1988
Capillary	PEG 4000	70.	752.	Rang, Orav, et al., 1988
Capillary	PEG 4000	80.	757.	Rang, Orav, et al., 1988
Packed	Carbowax 20M	150.	740.	Haken and Vernon, 1986	Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm
Packed	Carbowax 20M	75.	735.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Capillary	PEG-20M	100.	742.	Morishita, Okano, et al., 1980	Column length: 75. m; Column diameter: 0.25 mm
Capillary	PEG 4000	100.	766.	Rang, Orav, et al., 1977	Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm
Packed	Carbowax 20M	120.	726.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	Carbowax 20M	140.	732.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	Carbowax 20M	160.	738.	Pascal, Heintz, et al., 1974	Column length: 2. m
Packed	Carbowax 20M	100.	752.	Rohrschneider, 1966	Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	722.	Umano and Shibamoto, 1988	40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 220. C
Capillary	DB-Wax	722.	Umano and Shibamoto, 1988	40. C @ 10. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 220. C
Capillary	DB-Wax	722.	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

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	Petrocol DH	655.8	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	SPB-1	647.56	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	648.22	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	656.2	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	654.9	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	655.4	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	656.2	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	657.6	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	OV-101	654.6	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	DB-5	655.4	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	656.2	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	657.6	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	656.2	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	654.9	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	651.20	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	651.24	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	Ultra-1	651.	Olson, Sinkevitch, et al., 1992	4. K/min; T_start: -40. C; T_end: 230. C
Capillary	Petrocol DH	651.09	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	651.14	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	651.	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	Petrocol DH	668.	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	HP-1	660.8	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	657.3	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	656.4	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	647.36	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	650.41	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	652.19	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	653.15	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	656.24	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	658.10	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	662.	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-101	650.	Hayes and Pitzer, 1981	108. m/0.25 mm/0.2 μm, 1. K/min; T_start: 35. C; T_end: 200. 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	DB-1	665.	Peng, 2000	15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
Capillary	Methyl Silicone	648.90	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	662.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)
Packed	SE-30	662.	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	DB-Wax	732.	Malliaa, Fernandez-Garcia, et al., 2005	60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
Capillary	PEG-20M	734.0	Wang and Sun, 1985	3. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 70. C
Capillary	PEG-20M	735.5	Wang and Sun, 1985	4. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 70. C
Capillary	PEG-20M	737.0	Wang and Sun, 1985	2. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 80. C
Capillary	PEG-20M	741.7	Wang and Sun, 1985	2. K/min; Column length: 62. m; Column diameter: 0.27 mm; T_start: 90. C
Packed	Carbowax 20M	723.	Buchman, Cao, et al., 1984	He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	100.	673.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	120.	680.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	140.	685.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	Methyl Silicone	80.	668.	Lebrón-Aguilar, Quintanilla-López, et al., 2007
Capillary	OV-101	40.	660.	Li and Deng, 1998	N2; Column length: 51. m; Column diameter: 0.25 mm
Capillary	Methyl Silicone	50.	663.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm
Capillary	OV-101	50.	661.	Wu and Lu, 1984
Capillary	OV-101	70.	665.	Wu and Lu, 1984
Packed	Synachrom	150.	619.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	Synachrom	150.	625.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Capillary	Squalane	86.	661.	Vigdergauz and Martynov, 1971	He; Column length: 150. m; Column diameter: 0.35 mm
Packed	Apieson L	120.	688.	Kurdina, Markovich, et al., 1969	not specified, not specified
Packed	Squalane	125.	676.	Cremer and Nonn, 1964	H2, Chromosorb W (80-100 mesh); Column length: 3. m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	658.	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	Petrocol DH	651.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	OV-101	666.	Zenkevich, Eliseenkov, et al., 2009	25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; T_start: 60. C; T_end: 240. C
Capillary	BP-1	662.	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	654.9	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	648.95	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	OV-101	658.	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	SE-54	670.	Bellesia, Pinetti, et al., 1996	25. m/0.2 mm/0.5 μm, He, 35. C @ 2. min, 5. K/min; T_end: 250. C
Capillary	DB-1	658.	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	SE-30	651.	Heydanek and McGorrin, 1981	He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; T_end: 170. C
Packed	Apiezon L	668.	Dahlmann, Köser, et al., 1979	Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; T_start: 25. C
Capillary	SF-96	659.	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	Squalane	660.	Chen, 2008	Program: not specified
Capillary	Squalane	669.	Chen, 2008	Program: not specified
Capillary	DB-5 MS	669.	Cajka, Hajslova, et al., 2007	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min)
Capillary	Methyl Silicone	663.	Feng and Mu, 2007	Program: not specified
Capillary	Methyl Silicone	661.	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	SE-30	677.	Vinogradov, 2004	Program: not specified
Capillary	SPB-5	657.	Begnaud, Pérès, et al., 2003	60. m/0.32 mm/1. μm; Program: not specified
Capillary	Apiezon L	696.	Finkelstein, Kurbatova, et al., 2002	Program: not specified
Capillary	Methyl Silicone	700.	N/A	Program: not specified
Capillary	DB-1	664.	Zhu and Wang, 2001	Program: not specified
Capillary	Methyl Silicone	666.	Zenkevich, 2000	Program: not specified
Capillary	Methyl Silicone	657.	Spieksma, 1999	Program: not specified
Capillary	Methyl Silicone	666.	Zenkevich, 1998	Program: not specified
Capillary	SPB-1	666.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	Methyl Silicone	654.	Xu, Chu, et al., 1995	Program: not specified
Capillary	DB-1	649.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	DB-1	649.	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	664.	Lou, Liu, et al., 1993	Column diameter: 0.25 mm; Program: not specified
Capillary	OV-101	650.	Skrbic and Cvejanov, 1993	Program: not specified
Capillary	SPB-1	666.	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	664.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	OV-101	677.	Shibamoto, 1987	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, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	645.	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.	661.	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.	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.	675.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1	664.	Ramsey and Flanagan, 1982	Program: not specified
Packed	SE-30	675.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	669.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
Packed	SE-30	675.	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	669.	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, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	729.	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	729.	Shimadzu Corporation, 2003	30. m/0.32 mm/0.5 μm, He, 4. K/min; T_start: 40. C; T_end: 260. C
Capillary	Supelcowax-10	717.	Girard and Durance, 2000	60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; T_end: 200. C
Capillary	DB-Wax	712.	Chung, Eiserich, et al., 1993	60. C @ 4. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 220. C
Capillary	BP-20	765.	MacLeod and Snyder, 1985	70. C @ 5. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; T_end: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SOLGel-Wax	742.	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	737.	Johanningsmeier and McFeeters, 2011	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Carbowax 20M	765.	Vinogradov, 2004	Program: not specified
Capillary	DB-Wax	723.	Peng, Yang, et al., 1991	Program: not specified
Capillary	Carbowax 20M	756.	Shibamoto, 1987	Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	723.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	726.	Ramsey and Flanagan, 1982	Program: not specified

References

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

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MacLeod, A.J.; Snyder, C.H., Volatile components of two cultivars of mango from Florida, J. Agric. Food Chem., 1985, 33, 3, 380-384, https://doi.org/10.1021/jf00063a015 . [all data]

Johanningsmeier and McFeeters, 2011
Johanningsmeier, S.D.; McFeeters, R.F., Detection of volatile spoilage metabolites in fermented cucumbers using nontargeted, comprehensive 2-dimensional gas chromatography-time-of-flight mass spectrometry (GCxGCxTOFMS), J. Food Sci., 2011, 76, 1, c168-c177, https://doi.org/10.1111/j.1750-3841.2010.01918.x . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, Site Links, NIST Free Links, 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
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_gas	Entropy of gas at standard conditions
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
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_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
Δ_vapS	Entropy of vaporization
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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Cyclohexane

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

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Entropy of vaporization

Antoine Equation Parameters

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Enthalpy of phase transition

Entropy of phase transition

Reaction thermochemistry data

Individual Reactions

Free energy of reaction

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

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Credits

Additional Data

UV/Visible spectrum

Spectrum

Help

Credits

Additional Data

Vibrational and/or electronic energy levels

Symmetry: D3d Symmetry Number σ = 6

Notes

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

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

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

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

Normal alkane RI, non-polar column, isothermal

Normal alkane RI, non-polar column, temperature ramp

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

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

References

Notes

Symmetry: D_3d Symmetry Number σ = 6