Cyclooctane

Formula: C₈H₁₆
Molecular weight: 112.2126
IUPAC Standard InChI: InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
IUPAC Standard InChIKey: WJTCGQSWYFHTAC-UHFFFAOYSA-N
CAS Registry Number: 292-64-8
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: Octamethylene
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Gas phase thermochemistry data

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

Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-30.14 ± 0.38	kcal/mol	N/A	Spitzer and Huffman, 1947	Value computed using Δ_fH_liquid° value of -169.4±1.6 kj/mol from Spitzer and Huffman, 1947 and Δ_vapH° value of 43.35±0.21 kj/mol from missing citation.; DRB
Quantity	Value	Units	Method	Reference	Comment
S°_gas	87.66 ± 0.30	cal/mol*K	N/A	Finke H.L., 1956	GT

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
9.230	50.	Dorofeeva O.V., 1986	S(T) values calculated by [ Stull D.R., 1969] are in good agreement with those selected here; however, the discrepancy in Cp(298.15 K) amounts to 6.2 J/molK. S(T) values calculated by molecular mechanics method [ Chang S., 1970] are about 13 J/molK less than recommended ones; discrepancies in Cp(T) values amount to 1-2 J/mol*K.; GT
15.48	100.
19.88	150.
23.90	200.
31.804	273.15
34.9 ± 1.2	298.15
35.179	300.
48.317	400.
60.485	500.
70.899	600.
79.680	700.
87.108	800.
93.427	900.
98.822	1000.
103.44	1100.
107.40	1200.
110.81	1300.
113.74	1400.
116.28	1500.

Reaction thermochemistry data

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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

+ = Cyclooctane

By formula: H₂ + C₈H₁₄ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-24.3	kcal/mol	Chyd	Doering, Roth, et al., 1989	liquid phase
Δ_rH°	-24.5 ± 0.2	kcal/mol	Chyd	Roth and Lennartz, 1980	liquid phase; solvent: Cyclohexane
Δ_rH°	-23.04 ± 0.17	kcal/mol	Chyd	Rogers, Von Voithenberg, et al., 1978	liquid phase; solvent: Hexane
Δ_rH°	-23.0 ± 0.1	kcal/mol	Chyd	Turner and Meador, 1957	liquid phase; solvent: Acetic acid
Δ_rH°	-23.28 ± 0.15	kcal/mol	Chyd	Conn, Kistiakowsky, et al., 1939	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -23.53 ± 0.04 kcal/mol; At 355 K

+ = Cyclooctane

By formula: H₂ + C₈H₁₄ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-34.5 ± 0.1	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase; see Doering, Roth, et al., 1989
Δ_rH°	-34.41 ± 0.43	kcal/mol	Chyd	Rogers, Von Voithenberg, et al., 1978	liquid phase; solvent: Hexane
Δ_rH°	-32.24 ± 0.21	kcal/mol	Chyd	Turner and Meador, 1957	liquid phase; solvent: Acetic acid

3 + = Cyclooctane

By formula: 3H₂ + C₈H₁₀ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-76.39 ± 0.44	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Acetic acid
Δ_rH°	-72.36 ± 0.26	kcal/mol	Chyd	Turner, Meador, et al., 1957	liquid phase; solvent: Acetic acid

2 + = Cyclooctane

By formula: 2H₂ + C₈H₁₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-69.6 ± 0.2	kcal/mol	Chyd	Roth, Hopf, et al., 1994	liquid phase; solvent: Isooctane
Δ_rH°	-69.0	kcal/mol	Chyd	Turner, Jarrett, et al., 1973	liquid phase; solvent: Acetic acid

+ 2 = Cyclooctane

By formula: C₈H₁₂ + 2H₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-55.0 ± 0.1	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase
Δ_rH°	-53.68 ± 0.02	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Glacial acetic acid

2 + = Cyclooctane

By formula: 2H₂ + C₈H₁₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-49.8	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase
Δ_rH°	-48.96 ± 0.08	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Glacial acetic acid

+ 2 = Cyclooctane

By formula: C₈H₁₂ + 2H₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-52.09 ± 0.28	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Glacial acetic acid

3 + = Cyclooctane

By formula: 3H₂ + C₈H₁₀ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-79.91 ± 0.17	kcal/mol	Chyd	Turner, Mallon, et al., 1973	liquid phase; solvent: Glacial acetic acid

4 + = Cyclooctane

By formula: 4H₂ + C₈H₈ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-97.96 ± 0.05	kcal/mol	Chyd	Turner, Meador, et al., 1957	liquid phase; solvent: Acetic acid

4 + = Cyclooctane

By formula: 4H₂ + C₈H₈ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	152.9 ± 0.3	kcal/mol	Chyd	Roth, Hopf, et al., 1994	liquid phase; solvent: Isooctane

+ = Cyclooctane

By formula: H₂ + C₈H₁₄ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-22.4 ± 0.3	kcal/mol	Chyd	Rogers and McLafferty, 1971	liquid phase; solvent: Acetic acid

2 + = Cyclooctane

By formula: 2H₂ + C₈H₁₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-76.6 ± 0.1	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

2 + = Cyclooctane

By formula: 2H₂ + C₈H₁₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-64.7 ± 0.1	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

2 + = Cyclooctane

By formula: 2H₂ + C₈H₁₂ = C₈H₁₆

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-67.5 ± 0.1	kcal/mol	Chyd	Roth, Adamczak, et al., 1991	liquid phase

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction 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
Packed	C78, Branched paraffin	130.	965.8	Dallos, Sisak, et al., 2000	He; Column length: 3.3 m
Packed	C78, Branched paraffin	130.	963.9	Reddy, Dutoit, et al., 1992	Chromosorb G HP; Column length: 3.3 m
Capillary	HP-1	60.	911.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	912.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	928.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	929.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Packed	Apolane	130.	965.	Dutoit, 1991	Column length: 3.7 m
Capillary	OV-1	100.	927.2	Engewald, Billing, et al., 1987	Column length: 50. m; Column diameter: 0.3 mm
Capillary	SE-30	130.	941.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	SE-30	80.	920.	Bredael, 1982	Column length: 100. m; Column diameter: 0.5 mm
Capillary	Squalane	86.	928.5	Nabivach and Kirilenko, 1979	N2; Column length: 50. m
Capillary	Squalane	42.5	908.	Engewald, Epsch, et al., 1974	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	80.	925.	Engewald, Epsch, et al., 1974	N2; Column length: 100. m; Column diameter: 0.23 mm
Capillary	Squalane	100.	933.	Besson and Gäumann, 1973	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Apiezon L	100.	957.	Besson and Gäumann, 1973	Column length: 50. m; Column diameter: 0.25 mm
Capillary	Squalane	120.	927.	Agrawal, Tesarík, et al., 1972	N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Capillary	Squalane	86.	925.	Agrawal, Tesarík, et al., 1972	N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm
Capillary	Vacuum Grease Oil (VM-4)	35.	916.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	45.	920.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	50.	923.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	58.	926.	Sidorov, Petrova, et al., 1972
Capillary	Vacuum Grease Oil (VM-4)	68.	930.	Sidorov, Petrova, et al., 1972
Packed	Squalane	49.	912.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	920.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	928.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Capillary	Squalane	100.	934.	Schomburg, 1967	Ar; Column length: 100. m
Capillary	Squalane	120.	946.	Schomburg, 1966
Capillary	Squalane	70.	920.	Schomburg, 1966
Capillary	Squalane	80.	925.	Schomburg, 1966
Packed	Squalane	150.	946.	Schomburg, 1964

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Apiezon L	948.	Louis, 1971	N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; T_start: 60. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH	911.	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
Packed	SE-30	932.	Buchman, Cao, et al., 1984	He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	910.	Peng, 2000	15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min)
Packed	SE-30	932.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)
Packed	SE-30	932.	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	1036.	Peng, 2000	15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
Capillary	HP-Wax	1023.	Peng, 2000	15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min
Packed	Carbowax 20M	1043.	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, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH	918.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min

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

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Column type	Active phase	I	Reference	Comment
Capillary	Squalane	920.	Chen, 2008	Program: not specified
Packed	SE-30	947.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)
Packed	Squalane	927.	Robinson and Odell, 1971	N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold)
Packed	SE-30	947.	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)

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	1014.	Peng, Yang, et al., 1991	Program: not specified

References

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

Spitzer and Huffman, 1947
Spitzer, R.; Huffman, H.M., The heats of combustion of cyclopentane, cyclohexane, cycloheptane and cyclooctane, J. Am. Chem. Soc., 1947, 69, 211-213. [all data]

Finke H.L., 1956
Finke H.L., Cycloheptane, cyclooctane, and 1,3,5-cycloheptatriene. Low-temperature thermal properties, vapor pressure, and derived chemical thermodynamic properties, J. Am. Chem. Soc., 1956, 78, 5469-5476. [all data]

Dorofeeva O.V., 1986
Dorofeeva O.V., Thermodynamic properties of twenty-one monocyclic hydrocarbons, J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]

Stull D.R., 1969
Stull D.R., Jr., The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]

Chang S., 1970
Chang S., The heats of combustion and strain energies of bicyclo[n.m.0]alkanes, J. Am. Chem. Soc., 1970, 92, 3109-3118. [all data]

Doering, Roth, et al., 1989
Doering, W.E.; Roth, W.R.; Bauer, F.; Breuckmann, R.; Ebbrecht, T.; Herbold, M.; Schmidt, R.; Lennartz, H-W.; Lenoir, D.; Boese, R., Rotational barriers of strained olefines, Chem. Ber., 1989, 122, 1263-1266. [all data]

Roth and Lennartz, 1980
Roth, W.R.; Lennartz, H.W., Heats of hydrogenation. I. Determination of heats of hydrogenation with an isothermal titration calorimeter, Chem. Ber., 1980, 113, 1806-1817. [all data]

Rogers, Von Voithenberg, et al., 1978
Rogers, D.W.; Von Voithenberg, H.; Allinger, N.L., Heats of hydrogenation of the cis and trans isomers of cyclooctene, J. Org. Chem., 1978, 43, 360-361. [all data]

Turner and Meador, 1957
Turner, R.B.; Meador, W.R., Heats of hydrogenation. IV. Hydrogenation of some cis- and trans-cycloolefins, J. Am. Chem. Soc., 1957, 79, 4133-4136. [all data]

Conn, Kistiakowsky, et al., 1939
Conn, J.B.; Kistiakowsky, G.B.; Smith, E.A., Heats of organic reactions. VIII. Some further hydrogenations, including those of some acetylenes, J. Am. Chem. Soc., 1939, 61, 1868-1876. [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]

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]

Turner, Mallon, et al., 1973
Turner, R.B.; Mallon, B.J.; Tichy, M.; Doering, W.v.E.; Roth, W.R.; Schroder, G., Heats of hydrogenation. X. Conjugative interaction in cyclic dienes and trienes, J. Am. Chem. Soc., 1973, 95, 8605-8610. [all data]

Turner, Meador, et al., 1957
Turner, R.B.; Meador, W.R.; Doering, W.E.; Knox, L.H.; Mayer, J.R.; Wiley, D.W., Heats of hydrogenation. III. Hydrogenation of cycllooctatetraene and of some seven-membered non-benzenoid aromatic compounds, J. Am. Chem. Soc., 1957, 79, 4127-4133. [all data]

Roth, Hopf, et al., 1994
Roth, W.R.; Hopf, H.; Horn, C., Propargyl-Stabilisierungsenergie, Chem. Ber., 1994, 127, 1781-1795. [all data]

Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J., Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins, J. Am. Chem. Soc., 1973, 95, 790-792. [all data]

Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J., A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring, Tetrahedron, 1971, 27, 3765-3775. [all data]

Dallos, Sisak, et al., 2000
Dallos, A.; Sisak, A.; Kulcsár, Z.; Kováts, E., Pair-wise interactions by gas chromatography VII. Interaction free enthalpies of solutes with secondary alcohol groups, J. Chromatogr. A, 2000, 904, 2, 211-242, https://doi.org/10.1016/S0021-9673(00)00908-0 . [all data]

Reddy, Dutoit, et al., 1992
Reddy, K.S.; Dutoit, J.-Cl.; Kovats, E. sz., Pair-wise interactions by gas chromatography. I. Interaction free enthalpies of solutes with non-associated primary alcohol groups, J. Chromatogr., 1992, 609, 1-2, 229-259, https://doi.org/10.1016/0021-9673(92)80167-S . [all data]

Zhang, Li, et al., 1992
Zhang, M.J.; Li, S.D.; Chen, B.J., Compositional studies of high-temperature coal tar by GC/FTIR analysis of light oil fractions, Chromatographia, 1992, 33, 3/4, 138-146, https://doi.org/10.1007/BF02275894 . [all data]

Dutoit, 1991
Dutoit, J., Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases, J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X . [all data]

Engewald, Billing, et al., 1987
Engewald, W.; Billing, U.; Welsch, T.; Haufe, G., Structure-retention correlations of hydrocarbons in gas-liquid and gas-solid chromatography. Cycloalkenes and cycloalkadienes, Chromatographia, 1987, 23, 8, 590-594, https://doi.org/10.1007/BF02324870 . [all data]

Bredael, 1982
Bredael, P., Retention indices of hydrocarbons on SE-30, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610 . [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]

Engewald, Epsch, et al., 1974
Engewald, W.; Epsch, K.; Graefe, J.; Welsch, Th., Molekülstruktur und retentionsverhalten. II. Retentionsverhalten cycloaliphatischer kohlenwasser-stoffe bei der gas-adsorptions- und gas-verteilungschromatographie, J. Chromatogr., 1974, 91, 623-631, https://doi.org/10.1016/S0021-9673(01)97943-9 . [all data]

Besson and Gäumann, 1973
Besson, R.; Gäumann, T., Indices de rétention de cycloalcanes, cycloalcènes, bicycloalkyles, cycloalkyl-cycloalcényles et bicycloalcényles en chromatographie en phase gazeuse, Helv. Chim. Acta, 1973, 56, 3, 1159-1164, https://doi.org/10.1002/hlca.19730560339 . [all data]

Agrawal, Tesarík, et al., 1972
Agrawal, B.B.; Tesarík, K.; Janák, J., Gas chromatographic characterization of sulphur compounds in the 93-162° gasoline cut from Romashkino crude oil using Kováts retention indices, J. Chromatogr., 1972, 65, 1, 207-215, https://doi.org/10.1016/S0021-9673(00)86933-2 . [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]

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, 1967
Schomburg, G., Struktur und Retentionsverhalten von Offenkettigen und Cyclischen Kohlenwasserstoffen und Deren Einfacher Substitutionsprodukte, Anal. Chim. Acta., 1967, 38, 45-64, https://doi.org/10.1016/S0003-2670(01)80560-2 . [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]

Schomburg, 1964
Schomburg, G., Gas-Chromatographische Retentionsdaten und Struktur Chemischer Verbindungen. I. Verzweigte Aliphatische und Alicyclische Carbonsäure-Methylester, J. Chromatogr., 1964, 14, 157-177, https://doi.org/10.1016/S0021-9673(00)86608-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]

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]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]

Peng, 2000
Peng, C.T., Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index, J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8 . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [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]

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]

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]

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]

Peng, Yang, et al., 1991
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Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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
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