Pentadecanoic acid
- Formula: C15H30O2
- Molecular weight: 242.3975
- IUPAC Standard InChIKey: WQEPLUUGTLDZJY-UHFFFAOYSA-N
- CAS Registry Number: 1002-84-2
- 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: Pentadecylic acid; n-Pentadecanoic acid; n-Pentadecylic acid; Pentadecanoic (Palmitic) acid
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Phase change data
Go To: Top, IR Spectrum, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 326. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 325.68 | 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 | 775.43 | 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 | 15.5134 | bar | N/A | D'Souza and Teja, 1987 | Uncertainty assigned by TRC = 0.85 bar; Ambrose's procedure; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 156. | kJ/mol | V | Baccanari, Novinski, et al., 1968 | ALS |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
530.2 | 0.133 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
94. | 446. | A | Stephenson and Malanowski, 1987 | Based on data from 431. to 613. K.; AC |
108.5 ± 2.0 | 357. | ME,TE | de Kruif, Schaake, et al., 1982 | Based on data from 347. to 367. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
144.3 | 275. to 293. | TPTD | Chattopadhyay and Ziemann, 2005 | AC |
178. | 283. to 305. | TPTD | Chattopadhyay, Tobias, et al., 2001 | Experimental values based on the TPTD method are often inconsistent with values determined using other experimental methods; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
40.4 | 325.5 | DSC | Gbabode, Negrier, et al., 2007 | See also Gbabode, Negrier, et al., 2008 and Gbabode, Negrier, et al., 2009.; AC |
41.52 | 325.7 | N/A | Domalski and Hearing, 1996 | AC |
46.1 | 324.9 | N/A | Berchiesi, Bercuiesi, et al., 1976 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
25.48 | 318.7 | Domalski and Hearing, 1996 | CAL |
127.49 | 325.7 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
8.123 | 318.7 | crystaline, II | crystaline, I | Schaake, van Miltenburg, et al., 1982, 2 | DH |
41.526 | 325.68 | crystaline, I | liquid | Schaake, van Miltenburg, et al., 1982, 2 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
25.47 | 318.7 | crystaline, II | crystaline, I | Schaake, van Miltenburg, et al., 1982, 2 | DH |
127.50 | 325.68 | crystaline, I | liquid | Schaake, van Miltenburg, et al., 1982, 2 | DH |
IR Spectrum
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: 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 | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, 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: 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 | NIST Mass Spectrometry Data Center |
NIST MS number | 352553 |
References
Go To: Top, Phase change data, IR Spectrum, 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.
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]
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]
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]
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]
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]
Chattopadhyay and Ziemann, 2005
Chattopadhyay, Sulekha; Ziemann, Paul J.,
Vapor Pressures of Substituted and Unsubstituted Monocarboxylic and Dicarboxylic Acids Measured Using an Improved Thermal Desorption Particle Beam Mass Spectrometry Method,
Aerosol Science and Technology, 2005, 39, 11, 1085-1100, https://doi.org/10.1080/02786820500421547
. [all data]
Chattopadhyay, Tobias, et al., 2001
Chattopadhyay, Sulekha; Tobias, Herbert J.; Ziemann, Paul J.,
A Method for Measuring Vapor Pressures of Low-Volatility Organic Aerosol Compounds Using a Thermal Desorption Particle Beam Mass Spectrometer,
Anal. Chem., 2001, 73, 16, 3797-3803, https://doi.org/10.1021/ac010304j
. [all data]
Gbabode, Negrier, et al., 2007
Gbabode, Gabin; Negrier, Philippe; Mondieig, Denise; Moreno Calvo, Evelyn; Calvet, Teresa; Cuevas-Diarte, Miquel Àngel,
Structures of the High-Temperature Solid Phases of the Odd-Numbered Fatty Acids from Tridecanoic Acid to Tricosanoic Acid,
Chem. Eur. J., 2007, 13, 11, 3150-3159, https://doi.org/10.1002/chem.200600955
. [all data]
Gbabode, Negrier, et al., 2008
Gbabode, Gabin; Negrier, Philippe; Mondieig, Denise; Moreno, Evelyn; Calvet, Teresa; Cuevas-Diarte, Miquel Àngel,
Polymorphism and solid-state miscibility in the pentadecanoic acid--heptadecanoic acid binary system,
Chemistry and Physics of Lipids, 2008, 154, 1, 68-77, https://doi.org/10.1016/j.chemphyslip.2008.04.008
. [all data]
Gbabode, Negrier, et al., 2009
Gbabode, Gabin; Negrier, Philippe; Mondieig, Denise; Moreno, Evelyn; Calvet, Teresa; Cuevas-Diarte, Miquel Àngel,
Fatty acids polymorphism and solid-state miscibility,
Journal of Alloys and Compounds, 2009, 469, 1-2, 539-551, https://doi.org/10.1016/j.jallcom.2008.02.047
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Berchiesi, Bercuiesi, et al., 1976
Berchiesi, G.; Bercuiesi, M.A.; Lobbia, G.G.; Leonesi, D.,
Gazz. Chim. Ital., 1976, 106, 549. [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]
Notes
Go To: Top, Phase change data, IR Spectrum, 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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