Undecanoic acid, methyl ester
- Formula: C12H24O2
- Molecular weight: 200.3178
- IUPAC Standard InChI: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
- IUPAC Standard InChIKey: XPQPWPZFBULGKT-UHFFFAOYSA-N
- CAS Registry Number: 1731-86-8
- 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 undecanoate; Methyl undecylenate; n-Undecanoic acid methyl ester; Methyl ester of undecanoic acid; methyl n-undecanoate
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Phase change data
Go To: Top, 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:
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 |
|---|---|---|---|---|---|
| Tboil | 344.15 | K | N/A | Urry and Huyer, 1953 | Uncertainty assigned by TRC = 2. K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 261.8 | K | N/A | Adriaanse, Dekker, et al., 1964 | Uncertainty assigned by TRC = 0.05 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 16.9 ± 0.1 | kcal/mol | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
| ΔvapH° | 16.9 | kcal/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 433. to 473. K.; AC |
| ΔvapH° | 17.06 ± 0.072 | kcal/mol | C | Mansson, Sellers, et al., 1977 | ALS |
| ΔvapH° | 17.1 ± 0.07 | kcal/mol | C | Månsson, Sellers, et al., 1977 | AC |
| ΔvapH° | 17.3 | kcal/mol | V | Baccanari, Novinski, et al., 1968 | ALS |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 15.8 | 350. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
| 16.0 ± 0.02 | 340. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
| 14.6 | 408. | A,E | Stephenson and Malanowski, 1987 | Based on data from 393. to 473. K. See also Rose and Schrodt, 1963.; 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.
Urry and Huyer, 1953
Urry, W.H.; Huyer, E.S.,
J. Am. Chem. Soc., 1953, 75, 4876. [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]
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]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
Mansson, Sellers, et al., 1977
Mansson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
J. Chem. Thermodyn., 1977, 9, 91. [all data]
Månsson, Sellers, et al., 1977
Månsson, M.; Sellers, P.; Stridh, G.; Sunner, S.,
Enthalpies of vaporization of some 1-substituted n-alkanes,
The Journal of Chemical Thermodynamics, 1977, 9, 1, 91-97, https://doi.org/10.1016/0021-9614(77)90202-6
. [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]
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]
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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