Nonanoic acid
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChIKey: FBUKVWPVBMHYJY-UHFFFAOYSA-N
- CAS Registry Number: 112-05-0
- 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-Nonanoic acid; n-Nonoic acid; n-Nonylic acid; Nonoic acid; Nonylic acid; Pelargic acid; Pelargonic acid; 1-Octanecarboxylic acid; Cirrasol 185a; Emfac 1202; Hexacid C-9; Pelargon; Emery 1203; 1-Nonanoic acid; NSC 62787; n-Pelargonic acid; Emery 1202 (Salt/Mix)
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Gas phase thermochemistry data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -575.6 ± 1.0 | kJ/mol | Ccb | Adriaanse, Dekker, et al., 1965 | Value computed using ΔfHliquid° from Adriaanse, Dekker, et al., 1965 and ΔvapH° value of 82.4 kJ/mol from Baccanari, Novinski, et al., 1968. |
ΔfH°gas | -579.5 ± 1.0 | kJ/mol | N/A | Lebedeva, 1964 | Value computed using ΔfHliquid° value of -661.91±0.96 kj/mol from Lebedeva, 1964 and ΔvapH° value of 82.4±0.4 kj/mol from missing citation. |
ΔfH°gas | -579.5 ± 1.0 | kJ/mol | Ccb | Lebedeva, 1964 | Value computed using ΔfHliquid° from Lebedeva, 1964 and ΔvapH° value of 82.4 kJ/mol from Baccanari, Novinski, et al., 1968. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 526. ± 6. | K | AVG | N/A | Average of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 285. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 285.53 | K | N/A | Schaake, van Miltenburg, et al., 1982 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 712. | K | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 3. K; TRC |
Tc | 709.58 | K | N/A | D'Souza and Teja, 1987 | Uncertainty assigned by TRC = 3. K; Ambrose's procedure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 23.50 | bar | N/A | Ambrose and Ghiassee, 1987 | Uncertainty assigned by TRC = 2.00 bar; TRC |
Pc | 23.4636 | bar | N/A | D'Souza and Teja, 1987 | Uncertainty assigned by TRC = 0.90 bar; Ambrose's procedure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 82.4 ± 0.4 | kJ/mol | V | Baccanari, Novinski, et al., 1968 | ALS |
ΔvapH° | 82.4 ± 0.4 | kJ/mol | N/A | Baccanari, Novinski, et al., 1968 | Based on data from 293. to 303. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
76.9 | 396. | A | Stephenson and Malanowski, 1987 | Based on data from 381. to 528. K.; AC |
85.3 ± 2.0 | 304. | ME,TE | de Kruif, Schaake, et al., 1982 | Based on data from 292. to 313. K.; AC |
64.2 | 387. to 483. | EB | Trent, Miller, et al., 1960 | AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
410.0 to 450. | 2.54659 | 773.594 | -235.239 | Kahlbaum, 1894 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
20.31 | 285.5 | Acree, 1991 | AC |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.150 | 263.0 | crystaline, II | crystaline, I | Schaake, van Miltenburg, et al., 1982, 2 | DH |
19.823 | 285.53 | crystaline, I | liquid | Schaake, van Miltenburg, et al., 1982, 2 | DH |
5.560 | 268. | crystaline, II | crystaline, I | Garner and Randall, 1924 | DH |
20.290 | 285.5 | crystaline, I | liquid | Garner and Randall, 1924 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
28.07 | 263.0 | crystaline, II | crystaline, I | Schaake, van Miltenburg, et al., 1982, 2 | DH |
69.42 | 285.53 | crystaline, I | liquid | Schaake, van Miltenburg, et al., 1982, 2 | DH |
20.7 | 268. | crystaline, II | crystaline, I | Garner and Randall, 1924 | DH |
71.1 | 285.5 | crystaline, I | liquid | Garner and Randall, 1924 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 795 |
NIST MS number | 227949 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Adriaanse, Dekker, et al., 1965
Adriaanse, N.; Dekker, H.; Coops, J.,
Heats of combustion of normal saturated fatty acids and their methyl esters,
Rec. Trav. Chim. Pays/Bas, 1965, 84, 393-407. [all data]
Baccanari, Novinski, et al., 1968
Baccanari, D.P.; Novinski, J.A.; Pan, Y.; Yevitz, M.M.; Swain, H.A., Jr.,
Heats of sublimation and vaporization at 25° of long chain fatty acids and methyl esters,
Trans. Faraday Soc., 1968, 64, 1201. [all data]
Lebedeva, 1964
Lebedeva, N.D.,
Heats of combustion of monocarboxylic acids,
Russ. J. Phys. Chem. (Engl. Transl.), 1964, 38, 1435-1437. [all data]
Schaake, van Miltenburg, et al., 1982
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G.,
Thermodynamic properties of the normal alkanoic acids. I. Molar heat capacities of seven odd-numbered normal alkanoic acids.,
J. Chem. Thermodyn., 1982, 14, 763. [all data]
Ambrose and Ghiassee, 1987
Ambrose, D.; Ghiassee, N.B.,
Vapor Pressures and Critical Temperatures and Critical Pressures of Some Alkanoic Acids: C1 to C10,
J. Chem. Thermodyn., 1987, 19, 505. [all data]
D'Souza and Teja, 1987
D'Souza, R.; Teja, A.S.,
The prediction of the vapor pressures of carboxylic acids,
Chem. Eng. Commun., 1987, 61, 13. [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]
de Kruif, Schaake, et al., 1982
de Kruif, C.G.; Schaake, R.C.F.; van Miltenburg, J.C.; van der Klauw, K.; Blok, J.G.,
Thermodynamic properties of the normal alkanoic acids III. Enthalpies of vaporization and vapour pressures of 13 normal alkanoic acids,
The Journal of Chemical Thermodynamics, 1982, 14, 8, 791-798, https://doi.org/10.1016/0021-9614(82)90176-8
. [all data]
Trent, Miller, et al., 1960
Trent, F.M.; Miller, F.D.; Brown, G.H.,
Some Physical Properties of Certain C 9 and C 10 Aliphatic Acids and their Methyl Esters.2-Ethylheptanoic and Pelargonic Acids, and Methyl Esters of 2-Ethylpentanoic,Pelargonic, 2, 5-Diethyladipic, 2-Ethylsuberic, and Sebacic Acids.,
J. Chem. Eng. Data, 1960, 5, 1, 110-111, https://doi.org/10.1021/je60005a026
. [all data]
Kahlbaum, 1894
Kahlbaum, G.W.A.,
Studien uber Dampfspannkraftsmessungen,
Z. Phys. Chem. (Leipzig), 1894, 13, 14-55. [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]
Schaake, van Miltenburg, et al., 1982, 2
Schaake, R.C.F.; van Miltenburg, J.C.; De Kruif, C.G.,
Thermodynamic properties of the normal alkanoic acids. I. Molar heat capacities of seven odd-numbered normal alkanoic acids,
J. Chem. Thermodynam., 1982, 14, 763-769. [all data]
Garner and Randall, 1924
Garner, W.E.; Randall, F.C.,
Alternation in the heats of crystallization of the normal monobasic fatty acids. Part I.,
J. Chem. Soc., 1924, 125, 881-896. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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