Butane, 2-methyl-

Formula: C₅H₁₂
Molecular weight: 72.1488
IUPAC Standard InChI: InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3
IUPAC Standard InChIKey: QWTDNUCVQCZILF-UHFFFAOYSA-N
CAS Registry Number: 78-78-4
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.
Other names: iso-Pentane; 1,1,2-Trimethylethane; 2-Methylbutane; iso-C5H12; Ethyldimethylmethane; Isoamylhydride; Exxsol isopentane S; 1,1-Dimethylpropane; Methylbutane; NSC 119476
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Other data available:
Data at other public NIST sites:
- Gas Phase Kinetics Database
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

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

Gas phase thermochemistry data

Go To: Top, IR Spectrum, 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	-153.7 ± 0.59	kJ/mol	Ccb	Good, 1970	ALS
Δ_fH°_gas	-154.1 ± 0.96	kJ/mol	Cm	Pilcher and Chadwick, 1967	ALS
Δ_fH°_gas	-154.5 ± 0.84	kJ/mol	Ccb	Prosen and Rossini, 1945	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-3528.4 ± 0.92	kJ/mol	Cm	Pilcher and Chadwick, 1967	Corresponding Δ_fHº_gas = -154.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-3528.6 ± 0.63	kJ/mol	Cm	Knowlton and Rossini, 1939	Corresponding Δ_fHº_gas = -153.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_gas	-3527.6 ± 3.5	kJ/mol	Ccb	Roth and Pahlke, 1936	Reanalyzed by Cox and Pilcher, 1970, Original value = -3529.0 kJ/mol; Corresponding Δ_fHº_gas = -155.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
84.94	200.	Scott D.W., 1974	Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a better agreement with experimental data than the statistical thermodynamics calculations [ Pitzer K.S., 1946, Scott D.W., 1951].; GT
110.37	273.15
118.9 ± 0.4	298.15
119.50	300.
152.88	400.
183.26	500.
210.04	600.
233.05	700.
253.13	800.
270.70	900.
286.19	1000.
299.57	1100.
311.29	1200.
322.17	1300.
330.54	1400.
338.90	1500.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
125.31 ± 0.37	317.20	Scott D.W., 1951	GT
139.12 ± 0.42	358.15
153.64 ± 0.46	402.30
168.36 ± 0.51	449.20
179.62 ± 0.54	487.05

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY; 2 cm^-1 resolution

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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	Squalane	100.	475.	Heinzen, Soares, et al., 1999
Capillary	CP Sil 2	60.	474.2	Estel, Mohnke, et al., 1995	100. m/0.25 mm/0.25 μm
Capillary	OV-101	40.	469.	Laub and Purnell, 1988
Capillary	OV-101	60.	470.	Laub and Purnell, 1988
Capillary	OV-101	80.	470.	Laub and Purnell, 1988
Capillary	Squalane	50.	475.8	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	70.	475.4	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	50.	474.9	Papazova, Milina, et al., 1988	Column length: 50. m; Column diameter: 0.25 mm
Capillary	OV-1	20.	468.	Nijs and Jacobs, 1981	He; Column length: 150. m; Column diameter: 0.50 mm
Capillary	Squalane	50.	474.9	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	474.5	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	475.4	Bajus, Veselý, et al., 1979, 2	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	475.	Bajus, Veselý, et al., 1979, 2	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	475.	Chretien and Dubois, 1976
Capillary	Squalane	100.	475.6	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	475.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	476.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	27.	474.37	Schomburg and Dielmann, 1973	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Vacuum Grease Oil (VM-4)	35.	470.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	470.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	471.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	471.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	472.	Sidorov, Petrova, et al., 1972
Packed	Squalane	100.	477.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m
Capillary	Squalane	40.	476.	Matukuma, 1969	N2; Column length: 91.4 m; Column diameter: 0.25 mm
Packed	Squalane	27.	474.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	475.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	476.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	476.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	30.	474.	Tourres, 1967	H2; Column length: 10. m
Packed	Squalane	50.	474.	Tourres, 1967	H2; Column length: 10. m
Capillary	Squalane	30.	474.	Tourres, 1967, 2	H2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	474.	Tourres, 1967, 2	H2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	474.	Tourres, 1967, 2	H2; Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	70.	478.	Widmer, 1967	Diatoport S; Column length: 7.9 m
Packed	Squalane	100.	477.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	22.	474.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	30.	474.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	40.	475.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	55.	473.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	60.	475.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	70.	474.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	80.	476.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	26.	476.	Zulaïca and Guiochon, 1966	Column length: 10. m

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	OV-101	465.	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	461.	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	477.5	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	477.	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	130.	467.	Widmer, 1967	Diatoport P; Column length: 7.9 m
Packed	Carbowax 20M	70.	471.	Widmer, 1967	Diatoport P; Column length: 7.9 m

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	464.9	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	OV-101	466.1	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	465.35	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	465.39	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	467.	Olson, Sinkevitch, et al., 1992	4. K/min; T_start: -40. C; T_end: 230. C
Capillary	Petrocol DH	465.11	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	465.18	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	OV-101	465.	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	OV-101	466.	Wu and Lu, 1984	Program: not specified

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	OV-101	40.	474.	Li and Deng, 1998	N2; Column length: 51. m; Column diameter: 0.25 mm
Capillary	Methyl Silicone	50.	475.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm
Capillary	OV-101	50.	474.	Wu and Lu, 1984, 2
Capillary	OV-101	70.	475.	Wu and Lu, 1984, 2
Packed	Methyl Silicone	50.	475.	Huguet, 1961	Nitrogen, Celite C-22; Column length: 2.5 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	475.	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	476.	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	480.	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	HP-5 MS	474.	Zenkevich, Makarov A.A., et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 2. K/min, 220. C @ 10. min; T_start: 50. C
Capillary	PONA	465.	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	OV-1	466.2	Krkosova, Kubinec, et al., 2007	100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; T_start: 30. C
Capillary	SE-54	464.	Guan, Li, et al., 1995	60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; T_end: 200. C
Capillary	DB-1	464.	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Nonpolar	475.	Staples and Zeiger, 2008	Program: not specified
Capillary	Methyl Silicone	476.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	475.	Feng and Mu, 2007	Program: not specified
Capillary	Methyl Silicone	475.	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	OV-101	475.	Du and Liang, 2003	Program: not specified
Capillary	Polydimethyl siloxane	475.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	PONA	477.	Perkin Elmer Instruments, 2002	Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
Capillary	Polydimethyl siloxanes	466.	Yin, Guo, et al., 2001	Program: not specified
Capillary	Methyl Silicone	472.	Spieksma, 1999	Program: not specified
Capillary	Methyl Silicone	474.	Xu, Chu, et al., 1995	Program: not specified
Capillary	SE-52	467.	van Langenhove and Schamp, 1986	Column length: 100. m; Column diameter: 0.50 mm; Program: not specified
Packed	SE-30	476.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	476.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
Packed	SE-30	476.	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	476.	Robinson and Odell, 1971, 2	Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C)

References

Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes

Good, 1970
Good, W.D., The enthalpies of combustion and formation of the isomeric pentanes, J. Chem. Thermodyn., 1970, 2, 237-244. [all data]

Pilcher and Chadwick, 1967
Pilcher, G.; Chadwick, J.D.M., Measurements of heats of combustion by flame calorimetry. Part 4.-n-Pentane, isopentane, neopentane, Trans. Faraday Soc., 1967, 63, 2357-2361. [all data]

Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D., Heats of combustion and formation of the paraffin hydrocarbons at 25° C, J. Res. NBS, 1945, 263-267. [all data]

Knowlton and Rossini, 1939
Knowlton, J.W.; Rossini, F.D., Heats of combustion of tetramethylmethane and 2-methylbutane, J. Res. NBS, 1939, 22, 415-424. [all data]

Roth and Pahlke, 1936
Roth, W.A.; Pahlke, H., Sekundare eichsubstanz fur verbrennungscalorimeter fur gase und dampfe. Die verbrennungswarme von isopentandampf, Angew. Chem., 1936, 49, 618-619. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Scott D.W., 1974
Scott D.W., Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]

Scott D.W., 1974, 2
Scott D.W., Correlation of the chemical thermodynamic properties of alkane hydrocarbons, J. Chem. Phys., 1974, 60, 3144-3165. [all data]

Pitzer K.S., 1946
Pitzer K.S., The entropies and related properties of branched paraffin hydrocarbons, Chem. Rev., 1946, 39, 435-447. [all data]

Scott D.W., 1951
Scott D.W., Rotational isomerism and thermodynamic functions of 2-methylbutane and 2,3-dimethylbutane. Vapor heat capacity and heat of vaporization of 2-methylbutane, J. Am. Chem. Soc., 1951, 73, 1707-1712. [all data]

Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A., Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes, J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0 . [all data]

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

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

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

Papazova, Milina, et al., 1988
Papazova, D.; Milina, R.; Dimov, N., Comparative evaluation of retention of hydrocarbons present in the C₅-petroleum fraction of methylsilicone and squalane phases, Chromatographia, 1988, 25, 3, 177-180, https://doi.org/10.1007/BF02316441 . [all data]

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

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

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

Chretien and Dubois, 1976
Chretien, J.R.; Dubois, J.-E., New Perspectives in the Prediction of Kovats Indices, J. Chromatogr., 1976, 126, 171-189, https://doi.org/10.1016/S0021-9673(01)84071-1 . [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]

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]

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

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]

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

Matukuma, 1969
Matukuma, A., Retention indices of alkanes through C₁₀ and alkenes through C₈ and relation between boiling points and retention data, Gas Chromatogr., Int. Symp. Anal. Instrum. Div Instrum Soc. Amer., 1969, 7, 55-75. [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]

Tourres, 1967
Tourres, D.A., Structural analysis of industrial butene dimers by gas chromatography, J. Gas Chromatogr., 1967, 5, 1, 35-40, https://doi.org/10.1093/chromsci/5.1.35 . [all data]

Tourres, 1967, 2
Tourres, D.A., Structure moléculaire et rétention en chromatographie en phase gazeuse. Influence de la température sur l'indice de rétention d'alcanes isomères, J. Chromatogr., 1967, 30, 357-377, https://doi.org/10.1016/S0021-9673(00)84168-0 . [all data]

Widmer, 1967
Widmer, H., Gas chromatographic identification of hydrocarbons using retention indices, J. Gas Chromatogr., 1967, 5, 10, 506-510, https://doi.org/10.1093/chromsci/5.10.506 . [all data]

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

Zulaïca and Guiochon, 1966
Zulaïca, J.; Guiochon, G., Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs, Bull. Soc. Chim. Fr., 1966, 4, 1351-1363. [all data]

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

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

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]

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]

Olson, Sinkevitch, et al., 1992
Olson, K.L.; Sinkevitch, R.M.; Sloane, T.M., Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust, J. Chromatogr. Sci., 1992, 30, 12, 500-508, https://doi.org/10.1093/chromsci/30.12.500 . [all data]

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]

Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W., Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]

Wu and Lu, 1984
Wu, J.; Lu, W., Hydrocarbon analysis by open-tubular column chromatography with programmed temperature for straight run gasoline, Anal. Chem., 1984, 12, 7, 572-578. [all data]

Li and Deng, 1998
Li, H.; Deng, C., Qualitative analysis of light components of gasoline cracking using Kovats retention indices, J. Instrumental Analysis, 1998, 17, 1, 67-69. [all data]

Wu and Lu, 1984, 2
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]

Huguet, 1961
Huguet, M., Kovats retention indices in the qualitative analysis of light hydrocarbons by gas chromatography, Journees internationales d'etude des methodes de separation immediate et de chromatographie, 1961, 69. [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]

Tsuge, Ohtan, et al., 2011
Tsuge, S.; Ohtan, H.; Watanabe, C., Pyrolysis - GC/MS Data Book of Synthetic Polymers, Elsevier, 2011, 420. [all data]

Zenkevich, Makarov A.A., et al., 2009
Zenkevich, I.G.; Makarov A.A.; Schrader, S.; Moeder, M., A new version of an additive scheme for the prediction of gas chromatographic retention indices of the 211 structural isomers of 4-nonylphenol, J. Chromatogr. A, 2009, 1216, 18, 4097-4106, https://doi.org/10.1016/j.chroma.2009.03.021 . [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]

Krkosova, Kubinec, et al., 2007
Krkosova, Z.; Kubinec, R.; Addova, G.; Jurdakova, H.; Blasko, J.; Ostrovsky, I.; Sojak, L., Gas chromatographic - mass spectrometric characterization of monomethylalkanes from fuel diesel, Petroleum Coal, 2007, 49, 3, 51-62. [all data]

Guan, Li, et al., 1995
Guan, Y.; Li, L.; Zhou, L., Live retention database for compound identification in capillary gas chromatography, Chin. J. Chromatogr., 1995, 13, 5, 851-857. [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C₄-C₁₄ hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [all data]

Staples and Zeiger, 2008
Staples, E.; Zeiger, K., On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [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]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Du and Liang, 2003
Du, Y.; Liang, Y., Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit, Comput. Biol. Chem., 2003, 27, 3, 339-353, https://doi.org/10.1016/S1476-9271(02)00081-6 . [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Perkin Elmer Instruments, 2002
Perkin Elmer Instruments, Detailed hydrocarbon analysis (DHAX) Model 4015, 2002, retrieved from http://www.perkinelmer.com/instruments. [all data]

Yin, Guo, et al., 2001
Yin, C.; Guo, W.; Lin, T.; Liu, S.; Fu, R.; Pan, Z.; Wang, L., Application of wavelet neural network to the prediction of gas chromatographic retention indices of alkanes, J. Chinese Chem. Soc., 2001, 48, 739-749. [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]

Xu, Chu, et al., 1995
Xu, X.; Chu, S.; Song, N., Application of chromatographic studies of air pollution in China, J. Chromatogr. A, 1995, 710, 1, 21-37, https://doi.org/10.1016/0021-9673(95)00173-K . [all data]

van Langenhove and Schamp, 1986
van Langenhove, H.; Schamp, N., Identification of Volatiles in the Head Space of Acid-Treated Phosphate Rock by Gas Chromatography-Mass Spectromety, J. Chromatogr., 1986, 351, 65-75, https://doi.org/10.1016/S0021-9673(01)83473-7 . [all data]

Robinson and Odell, 1971, 2
Robinson, P.G.; Odell, A.L., Comparison of isothermal and non-linear temperature programmed gas chromatography. The temperature dependence of the retention indices of a number of hydrocarbons on squalane and SE-30, J. Chromatogr., 1971, 57, 11-17, https://doi.org/10.1016/0021-9673(71)80002-X . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, References

Symbols used in this document:

C_p,gas Constant pressure heat capacity of gas

Δ_cH°_gas Enthalpy of combustion of gas at standard conditions

Δ_fH°_gas Enthalpy of formation of gas 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.

C_p,gas	Constant pressure heat capacity of gas
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions