5-Nonanone
- Formula: C9H18O
- Molecular weight: 142.2386
- IUPAC Standard InChIKey: WSGCRAOTEDLMFQ-UHFFFAOYSA-N
- CAS Registry Number: 502-56-7
- 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: Butyl ketone; Dibutyl ketone; Nonan-5-one; (n-C4H9)2CO; di-n-Butylketone; 5-Oxononane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -82.44 ± 0.32 | kcal/mol | Ccb | Harrop, Head, et al., 1970 | ht. of vaporization was from a private communication |
Condensed phase thermochemistry data
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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 | -95.18 ± 0.32 | kcal/mol | Ccb | Harrop, Head, et al., 1970 | ht. of vaporization was from a private communication; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1366.11 ± 0.29 | kcal/mol | Ccb | Harrop, Head, et al., 1970 | ht. of vaporization was from a private communication; Corresponding ΔfHºliquid = -95.184 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 95.94 | cal/mol*K | N/A | Andon, Counsell, et al., 1970 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
73.21 | 298.15 | Saluja, Peacock, et al., 1979 | DH |
72.56 | 298.15 | Andon, Counsell, et al., 1970 | T = 10 to 320 K.; DH |
72.42 | 298.15 | Harrop, Head, et al., 1970 | DH |
Phase change data
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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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 460. ± 4. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 267.3 | K | N/A | Timmermans, 1927 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tfus | 268.35 | K | N/A | Bourgou, 1924 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 269.31 | K | N/A | Andon, Counsell, et al., 1970, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 641.4 | K | N/A | Pulliam, Gude, et al., 1994 | Uncertainty assigned by TRC = 0.3 K; by the sealed ampule method; TRC |
Tc | 640. | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.79 | mol/l | N/A | Pulliam, Gude, et al., 1994 | Uncertainty assigned by TRC = 0.02 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.61 | kcal/mol | A | Stephenson and Malanowski, 1987 | Based on data from 283. to 323. K. See also Rintelen, Saylor, et al., 1937.; AC |
ΔvapH° | 13.1 ± 0.1 | kcal/mol | GCC | Saluja, Peacock, et al., 1979 | AC |
ΔvapH° | 13.1 | kcal/mol | N/A | Ambrose, Ellender, et al., 1975 | AC |
ΔvapH° | 12.74 ± 0.02 | kcal/mol | V | Harrop, Head, et al., 1970 | ht. of vaporization was from a private communication; ALS |
ΔvapH° | 12.7 ± 0.02 | kcal/mol | C | Harrop, Head, et al., 1970 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
361.2 | 0.029 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.7 | 458. | A | Stephenson and Malanowski, 1987 | Based on data from 443. to 486. K.; AC |
11.9 | 372. | A | Stephenson and Malanowski, 1987 | Based on data from 357. to 468. K. See also Ambrose, Ellender, et al., 1975.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.694 | 451.8 | Acree, 1991 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0891 | 110. | crystaline, II | crystaline, I | Andon, Counsell, et al., 1970 | DH |
5.9584 | 269.31 | crystaline, I | liquid | Andon, Counsell, et al., 1970 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.810 | 110. | crystaline, II | crystaline, I | Andon, Counsell, et al., 1970 | DH |
22.12 | 269.31 | crystaline, I | liquid | Andon, Counsell, et al., 1970 | DH |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Harrop, Head, et al., 1970
Harrop, D.; Head, A.J.; Lewis, G.B.,
Thermodynamic properties of organic oxygen compounds. 22. Enthalpies of combustion of some aliphatic ketones,
J. Chem. Thermodyn., 1970, 2, 203-210. [all data]
Andon, Counsell, et al., 1970
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part XXIII. Low-temperature heat capacity and entropy of C6, C7,
and C9 ketones, 1970, J. [all data]
Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R.,
Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents,
J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]
Timmermans, 1927
Timmermans, J.,
The Melting Point of Organic Substances,
Bull. Soc. Chim. Belg., 1927, 36, 502. [all data]
Bourgou, 1924
Bourgou, A.,
Contribution a l'Etude du Methylal comme Solvant,
Bull. Soc. Chim. Belg., 1924, 33, 101-115. [all data]
Andon, Counsell, et al., 1970, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.,
Thermodynamic Properties of Organic Oxygen Compounds Part XXIII. Low- temperature Heat Capacity and Entropy of C6, C7, and C9 Ketones,
J. Chem. Soc. A, 1970, 1970, 833. [all data]
Pulliam, Gude, et al., 1994
Pulliam, M.K.; Gude, M.T.; Teja, A.S.,
The Critical Properties of Twelve Isomeric n-Alkanones with Six to Nine Carbon Atoms,
Experimental Results for DIPPR 1990-91 Projects on Phase Equilibria and Pure Component Properties, 1994, 1994, DIPPR Data Ser. No. 2, p. 184-87. [all data]
Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Critical Temperatures and Pressures of Thirty Organic Compounds,
J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Rintelen, Saylor, et al., 1937
Rintelen, J.C.; Saylor, J.H.; Gross, P.M.,
The Densities and Vapor Pressures of Some Alkylbenzenes, Aliphatic Ketones and n-Amyl Chloride 1,
J. Am. Chem. Soc., 1937, 59, 6, 1129-1130, https://doi.org/10.1021/ja01285a050
. [all data]
Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones,
The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X
. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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