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
View 3d structure (requires JavaScript / HTML 5) - Other names: n-Nonane; Shellsol 140; n-C9H20; UN 1920
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 |
|---|---|---|---|---|---|
| ΔfH°gas | -54.57 | kcal/mol | N/A | Good, 1969 | Value computed using ΔfHliquid° value of -274.7±1 kj/mol from Good, 1969 and ΔvapH° 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
| Cp,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. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -65.65 ± 0.24 | kcal/mol | Ccr | Good, 1969 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1463.96 ± 0.13 | kcal/mol | Ccr | Good, 1969 | Corresponding ΔfHºliquid = -65.65 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1463.89 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1944 | Corresponding ΔfHºliquid = -65.72 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -1462.7 | kcal/mol | Ccb | Jessup, 1937 | Corresponding ΔfHºliquid = -66.95 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 94.089 | cal/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
| S°liquid | 93.91 | cal/mol*K | N/A | Huffman, Parks, et al., 1931 | Extrapolation below 90 K, 83.09 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 69.833 | 318.15 | Banipal, Garg, et al., 1991 | T = 318 to 373 K. p = 0.1 MPa.; DH |
| 67.959 | 298.15 | Trejo, Costas, et al., 1991 | DH |
| 68.059 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
| 67.83 | 298.15 | Wilhelm, Inglese, et al., 1982 | DH |
| 70.08 | 323. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
| 67.88 | 298.15 | Grolier, Hamedi, et al., 1979 | DH |
| 77.01 | 350. | Swietoslawski and Zielenkiewicz, 1958 | Mean value over the temperature range 22 to 129°C.; DH |
| 67.971 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 320 K.; DH |
| 67.880 | 298.15 | Osborne and Ginnings, 1947 | T = 278 to 318 K.; DH |
| 67.09 | 297.9 | Huffman, Parks, et al., 1931 | T = 93 to 298 K. Value is unsmoothed experimental datum.; DH |
| 67.21 | 299.1 | Parks, Huffman, et al., 1930 | T = 224 to 299 K. Value is unsmoothed experimental datum.; DH |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
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) | 9.71 ± 0.10 | eV | N/A | N/A | L |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.87 | EST | Luo and Pacey, 1992 | LL |
| 9.71 ± 0.10 | EVAL | Lias, 1982 | LBLHLM |
| 9.63 ± 0.15 | EQ | Mautner(Meot-Ner), Sieck, et al., 1981 | LLK |
| 10.19 | EI | Potzinger and Bunau, 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H5+ | 13.20 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C3H7+ | 12.17 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C4H9+ | 11.15 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
| C5H11+ | 11.10 | C4H9 | EI | Potzinger and Bunau, 1969 | RDSH |
| C6H13+ | 10.63 | ? | EI | Potzinger and Bunau, 1969 | RDSH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
Prosen and Rossini, 1944
Prosen, E.J.; Rossini, F.D.,
Heats of combustion of eight normal paraffin hydrocarbons in the liquid state,
J. Res. NBS, 1944, 33, 255-272. [all data]
Jessup, 1937
Jessup, R.S.,
Heats of combustion of the liquid normal paraffin hydrocarbons from hexane to dodecane,
J. Res. NBS, 1937, 18, 114-128. [all data]
Finke, Gross, et al., 1954
Finke, H.L.; Gross, M.E.; Waddington, G.; Huffman, H.M.,
Low-temperature thermal data for the nine normal paraffin hydrocarbons from octane to hexadecane,
J. Am. Chem. Soc., 1954, 76, 333-341. [all data]
Huffman, Parks, et al., 1931
Huffman, H.M.; Parks, G.S.; Barmore, M.,
Thermal data on organic compounds. X. Further studies on the heat capacities, entropies and free energies of hydrocarbons,
J. Am. Chem. Soc., 1931, 53, 3876-3888. [all data]
Banipal, Garg, et al., 1991
Banipal, T.S.; Garg, S.K.; Ahluwalia, J.C.,
Heat capacities and densities of liquid n-octane, n-nonane, n-decane, and n-hexadecane at temperatures from 318.15 to 373.15 K and at pressures up to 10 MPa,
J. Chem. Thermodynam., 1991, 23, 923-931. [all data]
Trejo, Costas, et al., 1991
Trejo, L.M.; Costas, M.; Patterson, D.,
Excess heat capacity of organic mixtures, Internat. DATA Series,
Selected Data Mixt., 1991, Ser. [all data]
Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M.,
Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc.,
Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]
Wilhelm, Inglese, et al., 1982
Wilhelm, E.; Inglese, A.; Quint, J.R.; Grolier, J.-P.E.,
Molar excess volumes and excess heat capacities of (1,2,4-trichlorobenzene + an alkane),
J. Chem. Thermodynam., 1982, 14, 303-308. [all data]
Zaripov, 1982
Zaripov, Z.I.,
Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]
Grolier, Hamedi, et al., 1979
Grolier, J-P.E.; Hamedi, M.H.; Wilhelm, E.; Kehiaian, H.V.,
Excess heat capacities of binary mixtures of carbon tetrachloride with n-alkanes at 298.15 K,
Thermochim. Acta, 1979, 31, 79-84. [all data]
Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heat of some ternary azeotropes,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 365-366. [all data]
Osborne and Ginnings, 1947
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. Res. NBS, 1947, 39, 453-477. [all data]
Parks, Huffman, et al., 1930
Parks, G.S.; Huffman, H.M.; Thomas, S.B.,
Thermal data on organic compounds. VI. The heat capacities, entropies and free energies of some saturated, non-benzenoid hydrocarbons,
J. Am. Chem. Soc., 1930, 52, 1032-1041. [all data]
Luo and Pacey, 1992
Luo, Y.-R.; Pacey, P.D.,
Effects of alkyl substitution on ionization energies of alkanes and haloalkanes and on heats of formation of their molecular cations. Part 2. Alkanes and chloro-, bromo- and iodoalkanes,
Int. J. Mass Spectrom. Ion Processes, 1992, 112, 63. [all data]
Lias, 1982
Lias, S.G.,
Thermochemical information from ion-molecule rate constants,
Ion Cyclotron Reson. Spectrom. 1982, 1982, 409. [all data]
Mautner(Meot-Ner), Sieck, et al., 1981
Mautner(Meot-Ner), M.; Sieck, L.W.; Ausloos, P.,
Ionization of normal alkanes: Enthalpy, entropy, structural, and isotope effects,
J. Am. Chem. Soc., 1981, 103, 5342. [all data]
Potzinger and Bunau, 1969
Potzinger, P.; Bunau, G.v.,
Empirische Beruksichtigung von Uberschussenergien bei der Auftrittspotentialbestimmung,
Ber. Bunsen-Ges. Phys. Chem., 1969, 73, 466. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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