Nonane

Formula: C₉H₂₀
Molecular weight: 128.2551
IUPAC Standard InChI: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
IUPAC Standard InChIKey: BKIMMITUMNQMOS-UHFFFAOYSA-N
CAS Registry Number: 111-84-2
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: n-Nonane; Shellsol 140; n-C9H20; UN 1920
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Gas phase thermochemistry data

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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	-54.57	kcal/mol	N/A	Good, 1969	Value computed using Δ_fH_liquid° value of -274.7±1 kj/mol from Good, 1969 and Δ_vapH° value of 46.43 kj/mol from missing citation.; DRB
Quantity	Value	Units	Method	Reference	Comment
S°_gas	121.06 ± 0.24	cal/mol*K	N/A	Scott D.W., 1974	This reference does not contain the original experimental data. Experimental entropy value is based on the results [ Messerly J.F., 1967] for S(liquid).; GT

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
38.700	200.	Scott D.W., 1974, 2	Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, Scott D.W., 1974, 2]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT
47.029	273.15
50.3 ± 0.1	298.15
50.531	300.
64.250	400.
76.850	500.
87.500	600.
96.401	700.
103.70	800.
109.90	900.
115.10	1000.
119.50	1100.
123.40	1200.
127.00	1300.
130.00	1400.
133.00	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

2 + = Nonane

By formula: 2H₂ + C₉H₁₆ = C₉H₂₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-65.08 ± 0.51	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane

2 + = Nonane

By formula: 2H₂ + C₉H₁₆ = C₉H₂₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-64.69 ± 0.34	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane

2 + = Nonane

By formula: 2H₂ + C₉H₁₆ = C₉H₂₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-64.96 ± 0.43	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane

+ = Nonane

By formula: C₉H₁₈ + H₂ = C₉H₂₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-29.71 ± 0.24	kcal/mol	Chyd	Rogers and Skanupong, 1974	liquid phase; solvent: Hexane

2 + = Nonane

By formula: 2H₂ + C₉H₁₆ = C₉H₂₀

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-69.54 ± 0.46	kcal/mol	Chyd	Rogers, Dagdagan, et al., 1979	liquid phase; solvent: Hexane

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

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

Lee's RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5MS	138.27	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; T_end: 310. C
Capillary	DB-5MS	144.03	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; T_end: 310. C

References

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Good, 1969
Good, W.D., Enthalpies of combustion and formation of 11 isomeric nonanes, J. Chem. Eng. Data, 1969, 14, 231-235. [all data]

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

Messerly J.F., 1967
Messerly J.F., Low-temperature thermal data for n-pentane, n-heptadecane, and n-octadecane. Revised thermodynamic functions for the n-alkanes, C5-C18, J. Chem. Eng. Data, 1967, 12, 338-346. [all data]

Scott D.W., 1974, 2
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]

Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L., Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation, J. Am. Chem. Soc., 1979, 101, 671-676. [all data]

Rogers and Skanupong, 1974
Rogers, D.W.; Skanupong, S., Heats of hydrogenation of sixteen terminal monoolefins. The alternating effect, J. Phys. Chem., 1974, 78, 2569-2572. [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]

Notes

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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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