Cyclopentane, 1,2-dimethyl-, trans-

Formula: C₇H₁₄
Molecular weight: 98.1861
IUPAC Standard InChI: InChI=1S/C7H14/c1-6-4-3-5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
IUPAC Standard InChIKey: RIRARCHMRDHZAR-BQBZGAKWSA-N
CAS Registry Number: 822-50-4
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.
Stereoisomers:
- Cyclopentane, 1,2-dimethyl-, cis-
- Cyclopentane, 1,2-dimethyl-
Other names: trans-1,2-Dimethylcyclopentane; 1,trans-2-Dimethylcyclopentane; 1,2-Dimethylcyclopentane, trans; t-1,2-Dimethylcyclopentane; (E)-1,2-Dimethylcyclopentane; Cyclopentane, 1,2-dimethyl-
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Options:
- Switch to SI units

Data at NIST subscription sites:

NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

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

Gas phase thermochemistry data

Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
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	-32.67 ± 0.30	kcal/mol	Cm	Johnson, Prosen, et al., 1949	ALS

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
10.64	50.	Thermodynamics Research Center, 1997	p=1 bar. Recommended values are in close agreement with those calculated by a method of increments [ Epstein M.B., 1949] at low temperatures. Discrepancies increase up to 2-4 J/mol*K at T=1500 K.; GT
14.68	100.
18.38	150.
22.25	200.
29.37	273.15
32.15	298.15
32.36	300.
43.67	400.
53.87	500.
62.40	600.
69.53	700.
75.53	800.
80.64	900.
84.99	1000.
88.74	1100.
91.97	1200.
94.77	1300.
97.16	1400.
99.26	1500.
103.4	1750.
106.4	2000.
108.6	2250.
110.2	2500.
111.5	2750.
112.5	3000.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

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

2 + 2 = + Cyclopentane, 1,2-dimethyl-, trans-

By formula: 2H₂ + 2C₇H₁₂ = C₇H₁₄ + C₇H₁₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-22.55 ± 0.18	kcal/mol	Chyd	Allinger, Dodziuk, et al., 1982	liquid phase; solvent: Hexane

2 + = Cyclopentane, 1,2-dimethyl-, trans-

By formula: 2H₂ + C₇H₁₀ = C₇H₁₄

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-55.2 ± 0.2	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References, Notes

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.48 ± 0.05	EI	Holmes and Lossing, 1991	LL
9.95 ± 0.05	EI	Herzschuh and Sicker, 1981	LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₅H₉⁺	10.80 ± 0.05	C₂H₅	EI	Herzschuh and Sicker, 1981	LLK
C₆H₁₁⁺	10.70 ± 0.05	CH₃	EI	Herzschuh and Sicker, 1981	LLK

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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	OV-101	40.	685.6	Chen, Liang, et al., 2001	He; Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-101	60.	689.1	Chen, Liang, et al., 2001	He; Column length: 50. m; Column diameter: 0.25 mm
Capillary	CP Sil 2	60.	694.1	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	Squalane	25.	685.	Hilal, Carreira, et al., 1994
Capillary	DB-1	60.	690.0	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.25 μm
Capillary	PONA	60.	691.0	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	PONA	60.	691.0	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	DB-1	60.	691.2	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 1. μm
Capillary	OV-101	60.	690.7	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.2 μm
Capillary	OV-101	40.	686.	Laub and Purnell, 1988
Capillary	OV-101	60.	690.	Laub and Purnell, 1988
Capillary	OV-101	80.	693.	Laub and Purnell, 1988
Capillary	Nonpolar	55.	690.	Stoyanov and Dimov, 1987
Capillary	Nonpolar	60.	691.	Stoyanov and Dimov, 1987
Capillary	Nonpolar	65.	692.	Stoyanov and Dimov, 1987
Capillary	OV-101	40.	687.1	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	50.	688.8	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	60.	690.5	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	70.	692.2	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	30.	685.	Chien, Furio, et al., 1983
Capillary	OV-101	40.	686.	Chien, Furio, et al., 1983
Capillary	OV-101	50.	688.	Chien, Furio, et al., 1983
Capillary	OV-101	60.	690.	Chien, Furio, et al., 1983
Capillary	OV-101	70.	691.	Chien, Furio, et al., 1983
Capillary	OV-101	80.	693.	Chien, Furio, et al., 1983
Capillary	DB-1	60.	690.9	Lubeck and Sutton, 1983	Column length: 60. m; Column diameter: 0.264 mm
Capillary	DB-1	60.	691.2	Lubeck and Sutton, 1983	60. m/0.259 mm/1. μm
Capillary	OV-101	50.	689.	Johansen and Ettre, 1982	100. m/0.27 mm/0.20 μm
Capillary	OV-101	50.	689.	Johansen and Ettre, 1982	55. m/0.27 mm/0.9 μm
Capillary	SF-96	50.	690.	Johansen and Ettre, 1982	91.4 m/0.31 mm/0.20 μm
Capillary	Squalane	50.	688.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	689.	Mitra, 1981	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	86.	696.6	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	100.	692.	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	691.6	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	691.6	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	697.	Dielmann, Schwengers, et al., 1974	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	691.	Dielmann, Schwengers, et al., 1974	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	80.	695.	Dielmann, Schwengers, et al., 1974	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	689.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	692.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Vacuum Grease Oil (VM-4)	35.	689.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	691.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	692.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	694.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	696.	Sidorov, Petrova, et al., 1972
Capillary	Squalane	70.	689.8	Dimov and Schopov, 1971	Column length: 100. m; Column diameter: 0.25 mm
Packed	Vacuum Grease Oil (VM-4)	35.	689.	Sidorov, Ivanova, et al., 1971
Capillary	Squalane	70.	692.	Cramers, Rijks, et al., 1970	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	692.	Cramers, Rijks, et al., 1970	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	692.	Cramers, Rijks, et al., 1970	Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	130.	702.	Mitra and Saha, 1970	N2, Chromosorb W; Column length: 6.1 m
Packed	Squalane	27.	686.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	690.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	693.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	696.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	693.	Schomburg, 1966
Packed	Methyl Silicone	130.	702.	Antheaume and Guiochon, 1965

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Apiezon L	700.	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	687.	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	687.	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH	686.6	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	681.78	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	682.48	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	690.9	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	OV-101	686.0	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	Petrocol DH	684.12	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	684.18	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	683.95	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	684.01	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	684.	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

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	50.	689.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm
Capillary	OV-101	50.	689.	Wu and Lu, 1984
Capillary	OV-101	70.	692.	Wu and Lu, 1984
Capillary	Squalane	86.	693.	Vigdergauz and Martynov, 1971	He; Column length: 150. m; Column diameter: 0.35 mm

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	687.	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	685.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	PONA	687.	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Squalane	702.	Chen, 2008	Program: not specified
Capillary	Methyl Silicone	689.	Feng and Mu, 2007	Program: not specified
Capillary	Methyl Silicone	689.	Zenkevich and Marinichev, 2001	Program: not specified
Capillary	Methyl Silicone	686.	Spieksma, 1999	Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	690.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes

Johnson, Prosen, et al., 1949
Johnson, W.H.; Prosen, E.J.; Rossini, F.D., Heats of combustion and isomerization of the six C₇H₁₄ alkylcyclopentanes, J. Res. NBS, 1949, 42, 251-255. [all data]

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

Epstein M.B., 1949
Epstein M.B., Heats, equilibrium constants, and free energies of formation of the dimethylcyclopentanes, J. Res. Nat. Bur. Stand., 1949, 43, 245-250. [all data]

Allinger, Dodziuk, et al., 1982
Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N., Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements, Tetrahedron, 1982, 38, 1593-1597. [all data]

Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R., Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld, Chem. Ber., 1991, 124, 2499-2521. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Herzschuh and Sicker, 1981
Herzschuh, R.; Sicker, A., Stereochemische einflusse auf die ionisations- und auftrittsenergien cis/trans-isomerer dimethylcycloalkane, Z. Chem., 1981, 21, 409. [all data]

Chen, Liang, et al., 2001
Chen, J.P.; Liang, X.M.; Zhang, Q.; Zhang, L.F., Prediction of GC retention values under various column temperature conditions from temperature programmed data, Chromatographia, 2001, 53, 9/10, 539-547, https://doi.org/10.1007/BF02491619 . [all data]

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

Hilal, Carreira, et al., 1994
Hilal, S.H.; Carreira, L.A.; Karickhoff, S.W.; Melton, C.M., Estimation of Gas-Liquid Chromatographic Retention Times from Molecular Structure, J. Chromatogr. A, 1994, 662, 2, 269-280, https://doi.org/10.1016/0021-9673(94)80515-6 . [all data]

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

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

Stoyanov and Dimov, 1987
Stoyanov, E.; Dimov, N., Precalculation of the optimum column temperature for gas chromatographic separation of petroleum fractions, Anal. Chim. Acta., 1987, 201, 207-216, https://doi.org/10.1016/S0003-2670(00)85338-6 . [all data]

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

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

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

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

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

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

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

Dielmann, Schwengers, et al., 1974
Dielmann, G.; Schwengers, D.; Schomburg, G., Gas-chromatographische Retentionsdaten und Strukture chemischer Verbindungen Gesättigte und ungesättigte alkylsubstituierte Cyclopentane und Methylcyclopentane, Chromatographia, 1974, 7, 5, 215-224, https://doi.org/10.1007/BF02321771 . [all data]

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

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

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

Sidorov, Ivanova, et al., 1971
Sidorov, R.I.; Ivanova, M.P.; Petrova, V.I., Temperature dependence of cycloalkane's retention and its using in identification of structure, Gazovaya Khromatografiya, 1971, 15, 18-26. [all data]

Cramers, Rijks, et al., 1970
Cramers, C.A.; Rijks, J.A.; Pacáková, V.; de Andrade, I.R., The application of precision gas chromatography to the identification of types of hydrocarbons, J. Chromatogr., 1970, 51, 13-21, https://doi.org/10.1016/S0021-9673(01)96835-9 . [all data]

Mitra and Saha, 1970
Mitra, G.D.; Saha, N.C., Determination of Retention Indices of Saturated Hydrocarbons by Graphical Methods, J. Chromatogr. Sci., 1970, 8, 2, 95-102, https://doi.org/10.1093/chromsci/8.2.95 . [all data]

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

Schomburg, 1966
Schomburg, G., Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe, J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4 . [all data]

Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G., Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier, Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]

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

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

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

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

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

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

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

Subramaniam, Bochniak, et al., 1994
Subramaniam, B.; Bochniak, D.; Snavely, K., Fischer-Tropsch synthesis in supercritical reaction media, Lawrence Department of Chemical and Petroleum Engineering (DOE/PC/92532--T7), United States Department of Energy, Pittsburgh, PA, 1994, 8, retrieved from http://www.NTIS.gov. [all data]

White, Douglas, et al., 1992
White, C.M.; Douglas, L.J.; Hackett, J.P.; Anderson, R.R., Characterization of synthetic gasoline from the chloromethane-zeolite reaction, Energy Fuels, 1992, 6, 1, 76-82, https://doi.org/10.1021/ef00031a012 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Wu and Lu, 1984
Wu, J.; Lu, W., Kovats indices of C4-C10 hydrocarbons in apolar quartz capillary OV-101, Chin. J. Chromatogr., 1984, 1, 1, 11-17. [all data]

Vigdergauz and Martynov, 1971
Vigdergauz, M.S.; Martynov, A.A., Some applications of the gas chromatographic linear retention indices, Chromatographia, 1971, 4, 10, 463-467, https://doi.org/10.1007/BF02268816 . [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T., Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline, Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0 . [all data]

Chen, 2008
Chen, H.-F., Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression, Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003 . [all data]

Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]

Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N., Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian), Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]

Spieksma, 1999
Spieksma, W., Determination of vapor liquid equilibrium from the Kovats retention index on dimethylsilicone using the Wilson mixing tool, J. Hi. Res. Chromatogr., 1999, 22, 10, 565-588, https://doi.org/10.1002/(SICI)1521-4168(19991001)22:10<565::AID-JHRC565>3.0.CO;2-2 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References

Symbols used in this document:

AE Appearance energy

C_p,gas Constant pressure heat capacity of gas

Δ_fH°_gas Enthalpy of formation of gas at standard conditions

Δ_rH° Enthalpy of reaction at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions