Nonane
- Formula: C9H20
- Molecular weight: 128.2551
- 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
The 3d structure may be viewed using Java or Javascript. - Other names: n-Nonane; Shellsol 140; n-C9H20; UN 1920
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- 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.
Condensed phase thermochemistry data
Go To: Top, Reaction 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 | -274.7 ± 1.0 | kJ/mol | Ccr | Good, 1969 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -6125.21 ± 0.54 | kJ/mol | Ccr | Good, 1969 | Corresponding ΔfHºliquid = -274.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -6124.9 ± 1.1 | kJ/mol | Ccb | Prosen and Rossini, 1944 | Corresponding ΔfHºliquid = -275.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -6119.8 | kJ/mol | Ccb | Jessup, 1937 | Corresponding ΔfHºliquid = -280.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 393.67 | J/mol*K | N/A | Finke, Gross, et al., 1954 | DH |
S°liquid | 392.9 | J/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 (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
292.18 | 318.15 | Banipal, Garg, et al., 1991 | T = 318 to 373 K. p = 0.1 MPa.; DH |
284.34 | 298.15 | Trejo, Costas, et al., 1991 | DH |
284.76 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
283.8 | 298.15 | Wilhelm, Inglese, et al., 1982 | DH |
293.2 | 323. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
284.0 | 298.15 | Grolier, Hamedi, et al., 1979 | DH |
322.2 | 350. | Swietoslawski and Zielenkiewicz, 1958 | Mean value over the temperature range 22 to 129°C.; DH |
284.39 | 298.15 | Finke, Gross, et al., 1954 | T = 12 to 320 K.; DH |
284.01 | 298.15 | Osborne and Ginnings, 1947 | T = 278 to 318 K.; DH |
280.7 | 297.9 | Huffman, Parks, et al., 1931 | T = 93 to 298 K. Value is unsmoothed experimental datum.; DH |
281.2 | 299.1 | Parks, Huffman, et al., 1930 | T = 224 to 299 K. Value is unsmoothed experimental datum.; DH |
Reaction 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 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
By formula: 2H2 + C9H16 = C9H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -272.3 ± 2.1 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: 2H2 + C9H16 = C9H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -270.7 ± 1.4 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: 2H2 + C9H16 = C9H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -271.8 ± 1.8 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
By formula: C9H18 + H2 = C9H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -124.3 ± 1.0 | kJ/mol | Chyd | Rogers and Skanupong, 1974 | liquid phase; solvent: Hexane |
By formula: 2H2 + C9H16 = C9H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -291.0 ± 1.9 | kJ/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry data, Reaction 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, Condensed phase thermochemistry data, Reaction 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]
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]
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]
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, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔrH° 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.