Pentane, 3-ethyl-

Formula: C₇H₁₆
Molecular weight: 100.2019
IUPAC Standard InChI: InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
IUPAC Standard InChIKey: AORMDLNPRGXHHL-UHFFFAOYSA-N
CAS Registry Number: 617-78-7
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.
Other names: 3-Ethylpentane
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 calorie-based 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 Chromatography, References, Notes

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

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-189.7 ± 1.2	kJ/mol	Ccb	Prosen and Rossini, 1945	ALS
Δ_fH°_gas	-191.4	kJ/mol	N/A	Davies and Gilbert, 1941	Value computed using Δ_fH_liquid° value of -226.7±1.3 kj/mol from Davies and Gilbert, 1941 and Δ_vapH° value of 35.3 kj/mol from Prosen and Rossini, 1945.; DRB
Quantity	Value	Units	Method	Reference	Comment
S°_gas	411.50	J/mol*K	N/A	Huffman H.M., 1961	GT

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
125.35	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 good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
155.06	273.15
166.0 ± 1.1	298.15
166.82	300.
211.54	400.
252.63	500.
288.28	600.
318.40	700.
343.92	800.
366.10	900.
385.35	1000.
402.08	1100.
416.31	1200.
430.95	1300.
439.32	1400.
451.87	1500.

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry 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

= Pentane, 3-ethyl-

By formula: C₇H₁₆ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-0.59 ± 0.96	kJ/mol	Ccb	Prosen and Rossini, 1941	liquid phase; Heat of Isomerization
Δ_rH°	-2.2 ± 1.1	kJ/mol	Ccb	Prosen and Rossini, 1941	gas phase; Heat of Isomerization

+ = Pentane, 3-ethyl-

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-120.6 ± 1.3	kJ/mol	Chyd	Rogers and Dejroongruang, 1989	liquid phase; solvent: Cyclohexane

+ = Pentane, 3-ethyl-

By formula: H₂ + C₇H₁₄ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-106.8 ± 0.8	kJ/mol	Chyd	Rogers and Dejroongruang, 1989	liquid phase; solvent: Cyclohexane

3 + = Pentane, 3-ethyl-

By formula: 3H₂ + C₇H₁₀ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-349. ± 0.4	kJ/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

3 + = Pentane, 3-ethyl-

By formula: 3H₂ + C₇H₁₀ = C₇H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-391. ± 0.8	kJ/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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	Squalane	100.	687.	Heinzen, Soares, et al., 1999
Capillary	OV-101	0.	683.	Skrbic, 1997
Capillary	CP Sil 2	60.	687.3	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.	687.0	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.25 μm
Capillary	PONA	60.	687.4	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	PONA	60.	687.4	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.5 μm
Capillary	DB-1	60.	687.4	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 1. μm
Capillary	OV-101	60.	687.9	Krupcik, Skacani, et al., 1994	H2; Phase thickness: 0.2 μm
Capillary	OV-1	45.	686.4	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	OV-1	65.	687.5	Guan, Kiraly, et al., 1989	25. m/0.31 mm/0.52 μm, He
Capillary	Squalane	50.	686.	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	Squalane	70.	687.1	Guan, Kiraly, et al., 1989	50. m/0.22 mm/0.21 μm, He
Capillary	Squalane	50.	685.4	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Squalane	70.	686.4	Lunskii and Paizanskaya, 1988	He; Column length: 50. m; Column diameter: 0.22 mm
Capillary	Nonpolar	55.	686.	Stoyanov and Dimov, 1987
Capillary	Nonpolar	60.	687.	Stoyanov and Dimov, 1987
Capillary	Nonpolar	65.	687.	Stoyanov and Dimov, 1987
Capillary	OV-101	40.	685.5	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	50.	686.1	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	60.	686.6	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	OV-101	70.	687.2	Boneva and Dimov, 1986	100. m/0.27 mm/0.9 μm
Capillary	DB-1	60.	687.	Lubeck and Sutton, 1983	Column length: 60. m; Column diameter: 0.264 mm
Capillary	DB-1	60.	687.4	Lubeck and Sutton, 1983	60. m/0.259 mm/1. μm
Capillary	OV-101	50.	686.	Johansen and Ettre, 1982	100. m/0.27 mm/0.20 μm
Capillary	OV-101	50.	686.	Johansen and Ettre, 1982	55. m/0.27 mm/0.9 μm
Capillary	SF-96	50.	686.	Johansen and Ettre, 1982	91.4 m/0.31 mm/0.20 μm
Capillary	OV-1	60.	679.	Nijs and Jacobs, 1981	He; Column length: 150. m; Column diameter: 0.50 mm
Capillary	Squalane	50.	686.2	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	686.4	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Packed	Triacontane	70.	686.	Castello and D'Amato, 1979	He, Chromosorb W AW (60-80 mesh); Column length: 3. m
Packed	Triacontane	80.	686.	Castello and D'Amato, 1979	He, Chromosorb W AW (60-80 mesh); Column length: 3. m
Packed	Squalane	70.	688.	Castello and D'Amato, 1979	He, Chromosorb W AW (60-80 mesh); Column length: 3. m
Packed	Squalane	80.	688.	Castello and D'Amato, 1979	He, Chromosorb W AW (60-80 mesh); Column length: 3. m
Packed	OV-1	80.	688.	Dimov and Papazova, 1979	Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m
Capillary	Squalane	60.	687.	Chretien and Dubois, 1976
Capillary	Squalane	100.	683.5	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	683.5	Lulova, Leont'eva, et al., 1976	He; Column length: 120. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	686.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	687.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Apiezon L	100.	688.	Rappoport and Gäumann, 1973
Capillary	Vacuum Grease Oil (VM-4)	35.	684.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	685.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	685.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	686.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	687.	Sidorov, Petrova, et al., 1972
Capillary	Squalane	70.	686.3	Dimov and Schopov, 1971	Column length: 100. m; Column diameter: 0.25 mm
Packed	SE-30	75.	691.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m
Packed	Squalane	100.	689.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m
Packed	SE-30	80.	688.	Mitra and Saha, 1970	N2
Packed	Squalane	25.	685.	Mitra and Saha, 1970	N2
Packed	Squalane	80.	688.	Mitra and Saha, 1970	N2
Capillary	Squalane	40.	686.	Matukuma, 1969	N2; Column length: 91.4 m; Column diameter: 0.25 mm
Packed	Squalane	27.	685.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	686.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	687.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	688.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	30.	684.5	Tourres, 1967	H2; Column length: 10. m
Packed	Squalane	50.	686.	Tourres, 1967	H2; Column length: 10. m
Capillary	Squalane	30.	685.	Tourres, 1967, 2	H2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	686.	Tourres, 1967, 2	H2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	687.	Tourres, 1967, 2	H2; Column length: 100. m; Column diameter: 0.25 mm
Packed	Squalane	100.	689.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	22.	684.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	30.	685.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	40.	685.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	55.	687.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	60.	686.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	70.	687.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	80.	688.	Evans, 1966	Untreated celite; Column length: 1.8 m
Packed	Squalane	26.	684.	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	682.	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	685.	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	685.9	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)

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	684.7	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	679.79	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	680.52	LECO Corporation, 2003	30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min
Capillary	OV-101	683.0	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	682.17	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	682.20	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	Ultra-1	683.	Olson, Sinkevitch, et al., 1992	4. K/min; T_start: -40. C; T_end: 230. C
Capillary	Petrocol DH	683.	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	Ultra-1	683.88	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	684.72	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	685.24	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	684.11	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	684.98	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	685.47	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	OV-101	682.	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	683.	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	Methyl Silicone	50.	686.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 mm
Capillary	OV-101	50.	686.	Wu and Lu, 1984, 2
Capillary	OV-101	70.	687.	Wu and Lu, 1984, 2
Capillary	Squalane	100.	689.	Dimov N., 1976
Capillary	Squalane	70.	687.	Dimov N., 1976
Capillary	Squalane	86.	683.	Vigdergauz and Martynov, 1971	He; Column length: 150. m; Column diameter: 0.35 mm
Capillary	Apiezon L	40. to 190.	687.	Mann, Mühlstädt, et al., 1967	Column length: 2. m
Packed	Methyl Silicone	50.	681.	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	686.	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	683.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	SE-54	683.	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	688.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	686.	Feng and Mu, 2007	Program: not specified
Capillary	OV-101	687.	Du and Liang, 2003	Program: not specified
Capillary	Polydimethyl siloxane	687.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	Polydimethyl siloxanes	683.	Yin, Guo, et al., 2001	Program: not specified
Capillary	Methyl Silicone	687.	Zenkevich and Marinichev, 2001	Program: not specified
Capillary	Methyl Silicone	685.	Spieksma, 1999	Program: not specified
Capillary	Methyl Silicone	687.	Zenkevich, 1999	Program: not specified
Capillary	DB-1	682.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	OV-101	683.	Skrbic and Cvejanov, 1993	Program: not specified
Capillary	Squalane	687.	Petrov, 1984	Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	682.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Packed	SE-30	692.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	691.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
Packed	SE-30	692.	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	691.	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, Reaction thermochemistry data, Gas Chromatography, Notes

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]

Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C., Heats of combustion and formation of the nine isomeric heptanes in the liquid state, J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]

Huffman H.M., 1961
Huffman H.M., Low temperature thermodynamic properties of six isomeric heptanes, J. Phys. Chem., 1961, 65, 495-503. [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]

Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D., Heats of isomerization of the nine heptanes, J. Res. NBS, 1941, 27, 519-528. [all data]

Rogers and Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K., Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene, J. Chem. Thermodyn., 1989, 21, 1115-1120. [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]

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]

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

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]

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

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]

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]

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]

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. 1. Pyrolysis of heptane, Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 1, 30-37, https://doi.org/10.1021/i360069a007 . [all data]

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

Dimov and Papazova, 1979
Dimov, N.; Papazova, D., Calculation of retention indices of isoparaffins on different phases, Chromatographia, 1979, 12, 7, 443-447, https://doi.org/10.1007/BF02302987 . [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]

Rappoport and Gäumann, 1973
Rappoport, S.; Gäumann, T., 114. L'indice de rétention des alcanes isomères en chromatographie en phase gazeuse, Helv. Chim. Acta, 1973, 56, 3, 1145-1158, https://doi.org/10.1002/hlca.19730560338 . [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]

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]

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]

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]

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]

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]

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, 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]

Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W., Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504 . [all data]

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]

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]

Dimov N., 1976
Dimov N., Quantitative gas chromatographic analysis and determination of solute properties. An exact equation for the calculation of the retention indices of isoalkanes on Squalane, J. Chromatogr., 1976, 119, 109-118, https://doi.org/10.1016/S0021-9673(00)86775-8 . [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]

Mann, Mühlstädt, et al., 1967
Mann, G.; Mühlstädt, M.; Braband, J.; Döring, E., Konformation und physikalische daten von alkanen und cyclanen. II. Einfach und zweifach verzweigte alkane, Tetrahedron, 1967, 23, 8, 3393-3401, https://doi.org/10.1016/S0040-4020(01)92305-1 . [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]

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]

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]

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]

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]

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]

Zenkevich, 1999
Zenkevich, I.G., Dependence of Gas Chromatographic Retention Indices on Dynamics Molecular Characteristics, Zh. Fiz. Khim., 1999, 73, 5, 905-910. [all data]

Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, 1994, 549-568. [all data]

Skrbic and Cvejanov, 1993
Skrbic, B.D.; Cvejanov, J.Dj., Correlation of unified retention indices for OV-101 and squalane, Chromatographia, 1993, 35, 1/2, 109-110, https://doi.org/10.1007/BF02278566 . [all data]

Petrov, 1984
Petrov, A.A., Hydrocarbons of petroleum, Nauka (publishing house), Moscow, 1984, 263. [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]

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, Reaction thermochemistry data, Gas Chromatography, References

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
S°_gas	Entropy of gas at standard conditions
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.