Pentadecanoic acid, methyl ester
- Formula: C16H32O2
- Molecular weight: 256.4241
- IUPAC Standard InChI: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
- IUPAC Standard InChIKey: XIUXKAZJZFLLDQ-UHFFFAOYSA-N
- CAS Registry Number: 7132-64-1
- 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: Methyl n-pentadecanoate; Methyl pentadecanoate; n-Pentadecanoic acid methyl ester; 25:0, Me ester
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 291.45 | K | N/A | Gaikwad and Subrahmanyam, 1985 | Uncertainty assigned by TRC = 0.3 K; TRC |
| Tfus | 380.3 | K | N/A | Plato, 1972 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 288.61 | K | N/A | Ruhoff and Reid, 1933 | Uncertainty assigned by TRC = 0.15 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 22. ± 1. | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 414.7 | 0.004 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 19.6 | 350. | N/A | Segura, Galindo, et al., 2002 | AC |
| 19.1 ± 0.05 | 372. | N/A | Segura, Galindo, et al., 2002 | AC |
| 18.7 | 415. | A,E | Stephenson and Malanowski, 1987 | Based on data from 400. - 527. K. See also Rose and Schrodt, 1963.; AC |
| 21.0 ± 0.31 | 299. | N/A | Baccanari, Novinski, et al., 1968 | Based on data from 295. - 303. K.; AC |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Gaikwad and Subrahmanyam, 1985
Gaikwad, B.R.; Subrahmanyam, V.V.,
Melting behavior of fatty alcohols and their binary blends.,
J. Indian Chem. Soc., 1985, 62, 513. [all data]
Plato, 1972
Plato, C.,
DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals,
Anal. Chem., 1972, 44, 1531. [all data]
Ruhoff and Reid, 1933
Ruhoff, J.R.; Reid, E.E.,
A group of isomeric esters,
J. Am. Chem. Soc., 1933, 55, 3825-8. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Segura, Galindo, et al., 2002
Segura, Hugo; Galindo, Graciela; Reich, Ricardo; Wisniak, Jaime; Loras, Sonia,
Isobaric Vapor-Liquid Equilibria and Densities for the System Methyl 1,1-Dimethylethyl Ether +2-Propanol,
Physics and Chemistry of Liquids, 2002, 40, 3, 277-294, https://doi.org/10.1080/0031910021000004865
. [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]
Rose and Schrodt, 1963
Rose, Arthur; Schrodt, Verle N.,
Correlation and Prediction of Vapor Pressures of Homologs. Use of Structure Parameters and Gas Chromatography Data.,
J. Chem. Eng. Data, 1963, 8, 1, 9-13, https://doi.org/10.1021/je60016a002
. [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]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point 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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