Neopentane

Formula: C₅H₁₂
Molecular weight: 72.1488
IUPAC Standard InChI: InChI=1S/C5H12/c1-5(2,3)4/h1-4H3
IUPAC Standard InChIKey: CRSOQBOWXPBRES-UHFFFAOYSA-N
CAS Registry Number: 463-82-1
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: Propane, 2,2-dimethyl-; tert-Pentane; Tetramethylcarbon; Tetramethylmethane; 1,1,1-Trimethylethane; 2,2-Dimethylpropane; Neo-C5H12; UN 2044; Dimethylpropane
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Gas phase thermochemistry data

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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	-40.14 ± 0.15	kcal/mol	Ccb	Good, 1970	ALS
Δ_fH°_gas	-40.27 ± 0.24	kcal/mol	Cm	Pilcher and Chadwick, 1967	ALS
Δ_fH°_gas	-39.67 ± 0.25	kcal/mol	Ccb	Prosen and Rossini, 1945	ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_gas	-839.88 ± 0.23	kcal/mol	Cm	Pilcher and Chadwick, 1967	Corresponding Δ_fHº_gas = -40.27 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
28.877 ± 0.060	298.15	Hossenlopp I.A., 1981	GT
30.970 ± 0.062	323.15
33.081 ± 0.067	348.15
35.148 ± 0.069	373.15
37.156 ± 0.074	398.15
39.082 ± 0.076	423.15
40.980 ± 0.081	448.15
42.770 ± 0.086	473.15
44.555 ± 0.088	498.15
46.219 ± 0.093	523.15

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
19.25	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 calculation [ Pitzer K.S., 1946].; GT
26.680	273.15
28.879 ± 0.060	298.15
29.051	300.
37.280	400.
44.689	500.
51.300	600.
57.101	700.
62.400	800.
67.000	900.
71.200	1000.
74.900	1100.
78.200	1200.
80.999	1300.
84.001	1400.
85.999	1500.

Reaction thermochemistry data

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Data compiled as indicated in comments:
B - John E. Bartmess
MS - José A. Martinho Simões

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

C₅H₁₁^- + = Neopentane

By formula: C₅H₁₁^- + H⁺ = C₅H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	408.9 ± 2.0	kcal/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
Δ_rH°	411. ± 10.	kcal/mol	CIDT	Graul and Squires, 1990	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	400.1 ± 2.1	kcal/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B

C₁₀H₂₂Mg (cr) + (g) + (l) = 2 Neopentane (l) + Br₂Mg (cr)

By formula: C₁₀H₂₂Mg (cr) + H₂ (g) + Br₂ (l) = 2C₅H₁₂ (l) + Br₂Mg (cr)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-160.0 ± 1.6	kcal/mol	RSC	Akkerman, Schat, et al., 1983	MS

Gas phase ion energetics data

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Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	≤10.30 ± 0.08	eV	N/A	N/A	L

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.21 ± 0.04	PE	Jonas, Schweitzer, et al., 1973	LLK
10.3 ± 0.1	PE	Evans, Green, et al., 1972	LLK
10.40	PE	Dewar and Worley, 1969	RDSH
10.35	PI	Watanabe, Nakayama, et al., 1962	RDSH
10.90	PE	Kimura, Katsumata, et al., 1981	Vertical value; LLK
10.9 ± 0.1	PE	Bieri, Burger, et al., 1977	Vertical value; LLK
11.3	PE	Schmidt and Wilkins, 1972	Vertical value; LLK
11.3	PE	Murrell and Schmidt, 1972	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	29.5 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
CH₃⁺	13.14	?	EI	Lampe and Field, 1959	RDSH
C₂H₃⁺	17.95	?	EI	Lampe and Field, 1959	RDSH
C₂H₅⁺	13.81	?	EI	Lampe and Field, 1959	RDSH
C₃H₃⁺	17.08	?	EI	Lampe and Field, 1959	RDSH
C₃H₅⁺	13.13	?	EI	Lampe and Field, 1959	RDSH
C₄H₈⁺	10.39 ± 0.02	CH₄	PI	Steiner, Giese, et al., 1961	RDSH
C₄H₉⁺	10.35	CH₃	PI	Chesnavich, Su, et al., 1978	LLK
C₄H₉⁺	10.56	CH₃	EI	Lossing and Semeluk, 1970	RDSH
C₄H₉⁺	10.57 ± 0.02	CH₃	PI	Steiner, Giese, et al., 1961	RDSH

De-protonation reactions

C₅H₁₁^- + = Neopentane

By formula: C₅H₁₁^- + H⁺ = C₅H₁₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	408.9 ± 2.0	kcal/mol	Bran	DePuy, Gronert, et al., 1989	gas phase; B
Δ_rH°	411. ± 10.	kcal/mol	CIDT	Graul and Squires, 1990	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	400.1 ± 2.1	kcal/mol	H-TS	DePuy, Gronert, et al., 1989	gas phase; B

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Squalane	100.	413.	Heinzen, Soares, et al., 1999
Capillary	Squalane	50.	412.5	Bajus, Veselý, et al., 1979	Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	60.	413.	Chretien and Dubois, 1976
Packed	Apolane	110.	408.8	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	130.	409.8	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	150.	410.6	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	170.	411.3	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	190.	411.8	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	210.	412.1	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	230.	412.3	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	Apolane	90.	407.6	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Capillary	Squalane	50.	412.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	413.	Rijks and Cramers, 1974	N2; Column length: 100. m; Column diameter: 0.25 mm
Packed	Squalane	27.	411.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	49.	413.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	67.	413.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Packed	Squalane	86.	413.	Hively and Hinton, 1968	He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
Capillary	Squalane	30.	411.	Tourres, 1967	H2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	50.	412.	Tourres, 1967	H2; Column length: 100. m; Column diameter: 0.25 mm
Capillary	Squalane	70.	413.	Tourres, 1967	H2; Column length: 100. m; Column diameter: 0.25 mm
Packed	Squalane	26.	412.	Zulaïca and Guiochon, 1966	Column length: 10. m

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH-100	415.3	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	408.4	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

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Methyl Silicone	50.	412.	N/A	N2; Column length: 74.6 m; Column diameter: 0.28 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	414.	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	414.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	HP-5 MS	412.	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	413.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	412.	Feng and Mu, 2007	Program: not specified
Capillary	OV-101	413.	Du and Liang, 2003	Program: not specified
Capillary	Polydimethyl siloxane	413.	Junkes, Castanho, et al., 2003	Program: not specified
Capillary	PONA	415.	Perkin Elmer Instruments, 2002	Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified
Capillary	SPB-1	409.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	SPB-1	409.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Packed	SE-30	415.	Robinson and Odell, 1971	N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold)

References

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

Hossenlopp I.A., 1981
Hossenlopp I.A., Vapor heat capacities and enthalpies of vaporization of five alkane hydrocarbons, J. Chem. Thermodyn., 1981, 13, 415-421. [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]

DePuy, Gronert, et al., 1989
DePuy, C.H.; Gronert, S.; Barlow, S.E.; Bierbaum, V.M.; Damrauer, R., The Gas Phase Acidities of the Alkanes, J. Am. Chem. Soc., 1989, 111, 6, 1968, https://doi.org/10.1021/ja00188a003 . [all data]

Graul and Squires, 1990
Graul, S.T.; Squires, R.R., Gas-Phase Acidities Derived from Threshold Energies for Activated Reactions, J. Am. Chem. Soc., 1990, 112, 7, 2517, https://doi.org/10.1021/ja00163a007 . [all data]

Akkerman, Schat, et al., 1983
Akkerman, O.S.; Schat, G.; Evers, E.A.I.M.; Bickelhaupt, F., Recl. Trav. Chim. Pays-Bas, 1983, 102, 109. [all data]

Jonas, Schweitzer, et al., 1973
Jonas, A.E.; Schweitzer, G.K.; Grimm, F.A.; Carlson, T.A., The photoelectron spectra of the tetrafluoro and tetramethyl compounds of the group IV elements, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 29. [all data]

Evans, Green, et al., 1972
Evans, S.; Green, J.C.; Joachim, P.J.; Orchard, A.F.; Turner, D.W.; Maier, J.P., Electronic structures of the Group IV_B tetramethyls by helium-(I) photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 905. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P., Valence ionization enrgies of hydrocarbons, Helv. Chim. Acta, 1977, 60, 2213. [all data]

Schmidt and Wilkins, 1972
Schmidt, W.; Wilkins, B.T., Das "Equivalent Orbital" (EO)-verfahren zur interpretation von photoelektronen(PE)-spektren: Neopentan, Angew. Chem., 1972, 84, 168. [all data]

Murrell and Schmidt, 1972
Murrell, J.N.; Schmidt, W., Photoelectron spectroscopic correlation of the molecular orbitals of methane, ethane, propane, isobutane and neopentane, J. Chem. Soc. Faraday Trans. 2, 1972, 68, 1709. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Lampe and Field, 1959
Lampe, F.W.; Field, F.H., The decomposition of neopentane under electron impact, J. Am. Chem. Soc., 1959, 81, 3238. [all data]

Steiner, Giese, et al., 1961
Steiner, B.; Giese, C.F.; Inghram, M.G., Photoionization of alkanes. Dissociation of excited molecular ions, J. Chem. Phys., 1961, 34, 189. [all data]

Chesnavich, Su, et al., 1978
Chesnavich, W.J.; Su, T.; Bowers, M.T., Reactions of vibrationally excited ions. A theoretical and experimental analysis of the reaction (C₄H₉⁺) + NH₃ Ü NH₄⁺ + C₄H₈, J. Am. Chem. Soc., 1978, 100, 4362. [all data]

Lossing and Semeluk, 1970
Lossing, F.P.; Semeluk, G.P., Free radicals by mass spectrometry. XLII.Ionization potentials and ionic heats of formation for C₁-C₄ alkyl radicals, Can. J. Chem., 1970, 48, 955. [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]

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]

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]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C₈₇ hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [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]

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., 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]

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]

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]

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]

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]

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]

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

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [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]

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
IE (evaluated)	Recommended ionization energy
Δ_cH°_gas	Enthalpy of combustion of gas at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_rG°	Free energy of reaction 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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