Dodecanoic acid, methyl ester
- Formula: C13H26O2
- Molecular weight: 214.3443
- IUPAC Standard InChIKey: UQDUPQYQJKYHQI-UHFFFAOYSA-N
- CAS Registry Number: 111-82-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Lauric acid, methyl ester; Metholene 2296; Methyl dodecanoate; Methyl dodecylate; Methyl laurate; Methyl laurinate; Methyl n-dodecanoate; Uniphat A40; NSC 5027
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Phase change data
Go To: Top, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 278.45 | K | N/A | Gaikwad and Subrahmanyam, 1985 | Uncertainty assigned by TRC = 0.35 K; TRC |
Tfus | 278. | K | N/A | Adriaanse, Dekker, et al., 1964 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 712.15 | K | N/A | Ambrose, 1963 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 76.9 ± 0.6 | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
535.2 | 1.02 | Weast and Grasselli, 1989 | BS |
414.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
71.4 | 350. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
70.7 ± 0.2 | 356. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
74.9 | 310. | N/A | Bureau, Jose, et al., 2001 | Based on data from 295. to 452. K.; AC |
53.3 | 498. | GC | Husain, Sarma, et al., 1993 | Based on data from 453. to 543. K.; AC |
83.6 | 302. | A | Stephenson and Malanowski, 1987 | Based on data from 287. to 333. K.; AC |
63.6 | 422. | A | Stephenson and Malanowski, 1987 | Based on data from 407. to 540. K. See also Rose and Schrodt, 1963.; AC |
80.8 | 293. | V | Spizzichino, 1956 | ALS |
69.33 | 293. | V | Scott, Macmillan, et al., 1952 | ALS |
71.4 | 351. | MG,OM | Scott, Macmillan, et al., 1952 | Based on data from 336. to 409. K.; AC |
62.3 | 388. | N/A | Althouse and Triebold, 1944 | Based on data from 373. to 439. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
373. to 439. | 4.81707 | 2303.546 | -61.592 | Althouse and Triebold, 1944 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
121.8 ± 2.1 | 267. | ME | Davies and Kybett, 1965 | Based on data from 262. to 273. K. See also Stephenson and Malanowski, 1987.; AC |
Mass spectrum (electron ionization)
Go To: Top, 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-1738 |
NIST MS number | 229476 |
References
Go To: Top, 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.
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]
Ambrose, 1963
Ambrose, D.,
Critical Temperatures of Some Phenols and Other Organic Compounds,
Trans. Faraday Soc., 1963, 59, 1988. [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]
Bureau, Jose, et al., 2001
Bureau, N.; Jose, J.; Mokbel, I.; de Hemptinne, J-C,
Vapour pressure measurements and prediction for heavy esters,
The Journal of Chemical Thermodynamics, 2001, 33, 11, 1485-1498, https://doi.org/10.1006/jcht.2001.0859
. [all data]
Husain, Sarma, et al., 1993
Husain, Sajid; Sarma, P. Nageswara; Swamy, G.Y.S.K.; Devi, K. Sita,
Determination of physicochemical properties of some fatty acid methyl esters by gas liquid chromatography,
J Am Oil Chem Soc, 1993, 70, 2, 149-155, https://doi.org/10.1007/BF02542618
. [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]
Spizzichino, 1956
Spizzichino, C.,
Contribution a l'etude des tensions de vapeur et des chaleurs de vaporisation des acides gras, esters methyliques et alcools gras a des pressions inferieures a 1 mm de mercure,
J. des Recherches du C.N.R.S., 1956, 34, 1-24. [all data]
Scott, Macmillan, et al., 1952
Scott, T.A., Jr.; Macmillan, D.; Melvin, E.H.,
Vapor pressures and distillation of methyl esters of some fatty acids,
Ind. Eng. Chem., 1952, 44, 172-175. [all data]
Althouse and Triebold, 1944
Althouse, Paul M.; Triebold, Howard O.,
Physical Constants of Methyl Esters of Commonly Occurring Fatty Acids Vapor Pressure,
Ind. Eng. Chem. Anal. Ed., 1944, 16, 10, 605-606, https://doi.org/10.1021/i560134a003
. [all data]
Davies and Kybett, 1965
Davies, M.; Kybett, B.,
Sublimation and vaporization heats of long-chain alcohols,
Trans. Faraday Soc., 1965, 61, 1608. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point ΔsubH Enthalpy of sublimation 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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