Tridecanoic acid, methyl ester
- Formula: C14H28O2
- Molecular weight: 228.3709
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: JNDDPBOKWCBQSM-UHFFFAOYSA-N
- CAS Registry Number: 1731-88-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Methyl tridecanoate; n-Tridecanoic acid methyl ester; Methyl ester of tridecanoic acid; Methyl n-tridecanoate; Methyl tridecanoate ester
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Condensed 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
|cH°liquid||-2101.4 ± 0.43||kcal/mol||Ccb||Adriaanse, Dekker, et al., 1965||Corresponding «DELTA»fHºliquid = -171.7 kcal/mol (simple calculation by NIST; no Washburn corrections)|
Phase change data
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References, Notes
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
|Tfus||278.25||K||N/A||Gaikwad and Subrahmanyam, 1985||Uncertainty assigned by TRC = 0.35 K; TRC|
|Tfus||279.||K||N/A||Adriaanse, Dekker, et al., 1964||Uncertainty assigned by TRC = 0.05 K; TRC|
|vapH°||19.6 ± 0.5||kcal/mol||AVG||N/A||Average of 6 values; Individual data points|
Reduced pressure boiling point
|Tboil (K)||Pressure (atm)||Reference||Comment|
|404.2||0.005||Aldrich Chemical Company Inc., 1990||BS|
|365.7||0.001||Weast and Grasselli, 1989||BS|
Enthalpy of vaporization
|vapH (kcal/mol)||Temperature (K)||Method||Reference||Comment|
|17.7||350.||N/A||van Genderen, van Miltenburg, et al., 2002||AC|
|17.3 ± 0.02||368.||N/A||van Genderen, van Miltenburg, et al., 2002||AC|
|17.4||392.||A,EST||Stephenson and Malanowski, 1987||Based on data from 377. - 504. K. See also Rose and Schrodt, 1963.; AC|
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|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||352604|
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
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]
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]
Adriaanse, Dekker, et al., 1964
Adriaanse, N.; Dekker, H.; Coops, J., Some Physical Constants of Normal, Saturated Fatty Acids and Their Methyl Esters, Recl. Trav. Chim. Pays-Bas, 1964, 83, 557. [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]
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]
van Genderen, van Miltenburg, et al., 2002
van Genderen, Aad C.G.; van Miltenburg, J. Cees; Blok, Jacobus G.; van Bommel, Mark J.; van Ekeren, Paul J.; van den Berg, Gerrit J.K.; Oonk, Harry A.J., Liquid--vapour equilibria of the methyl esters of alkanoic acids: vapour pressures as a function of temperature and standard thermodynamic function changes, Fluid Phase Equilibria, 2002, 202, 1, 109-120, https://doi.org/10.1016/S0378-3812(02)00097-3 . [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]
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point cH°liquid Enthalpy of combustion of liquid at standard conditions vapH Enthalpy of vaporization vapH° Enthalpy of vaporization at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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