Methyl stearate
- Formula: C19H38O2
- Molecular weight: 298.5038
- IUPAC Standard InChIKey: HPEUJPJOZXNMSJ-UHFFFAOYSA-N
- CAS Registry Number: 112-61-8
- 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: Octadecanoic acid, methyl ester; Stearic acid, methyl ester; n-Octadecanoic acid, methyl ester; Kemester 9718; Methyl n-octadecanoate; Methyl octadecanoate; Metholene 2218; Emery 2218; Kemester 9018; Methyl ester of octadecanoic acid; Kemester 4516; NSC 9418; 172226-13-0; 172226-14-1; 218433-32-0; 28:0, Me ester
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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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 310. | K | N/A | Babich, Hwang, et al., 1992 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 312.15 | K | N/A | Gaikwad and Subrahmanyam, 1985 | Uncertainty assigned by TRC = 0.35 K; TRC |
Tfus | 311.2 | K | N/A | Kurtz, 1952 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 312.1 | K | N/A | Boelhouwer, Nederbragt, et al., 1950 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 109.5 ± 2.7 | kJ/mol | CGC | Chickos, Zhao, et al., 2004 | Based on data from 467. to 558. K.; AC |
ΔvapH° | 105.9 ± 1.4 | kJ/mol | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
ΔvapH° | 106.2 | kJ/mol | GC | Krop, Velzen, et al., 1997 | Based on data from 463. to 523. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
488.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
98. | 350. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
90.0 ± 0.3 | 401. | N/A | van Genderen, van Miltenburg, et al., 2002 | AC |
75.4 | 498. | GC | Husain, Sarma, et al., 1993 | Based on data from 453. to 543. K.; AC |
83.2 | 442. | A | Stephenson and Malanowski, 1987 | Based on data from 427. to 484. K. See also Rose and Schrodt, 1964.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
427.16 to 484.82 | 5.88185 | 3249.472 | -59.659 | Rose and Schrodt, 1964 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
158.2 ± 2.5 | 304. | Davies and Kybett, 1965 | Based on data from 299. to 310. K. See also Stephenson and Malanowski, 1987.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
19.234 | 310.93 | N/A | King and Garner, 1936 | DH |
61.7 | 310.9 | DSC | Chickos, Zhao, et al., 2004 | AC |
71.1 | 311. | N/A | Nikolic, Marinovic-Cincovic, et al., 2003 | AC |
64.4 | 310. | N/A | King and Garner, 1936, 2 | AC |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLUTION (10% CCl4 FOR 2.7-7.5, 10% CS2 FOR 7.5-26 MICRON) VS SOLVENT; DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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, 1998. |
NIST MS number | 291013 |
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.
Babich, Hwang, et al., 1992
Babich, M.W.; Hwang, S.W.; Mounts, R.D.,
Thermochim. Acta, 1992, 210, 77. [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]
Kurtz, 1952
Kurtz, F.E.,
Chromatography of Methayl Stearate, Methyl Oleate, Methy Linoleate and Methyl Linolenate: A COncept of AMplified Chromatographic Separations,
J. Am. Chem. Soc., 1952, 74, 1902-9. [all data]
Boelhouwer, Nederbragt, et al., 1950
Boelhouwer, J.W.M.; Nederbragt, G.W.; Verberg, G.W.,
Viscosity data of organic liquids,
Appl. Sci. Res., Sect. A, 1950, 2, 249. [all data]
Chickos, Zhao, et al., 2004
Chickos, James S.; Zhao, Hui; Nichols, Gary,
The vaporization enthalpies and vapor pressures of fatty acid methyl esters C18, C21 to C23, and C25 to C29 by correlation -- gas chromatography,
Thermochimica Acta, 2004, 424, 1-2, 111-121, https://doi.org/10.1016/j.tca.2004.05.020
. [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]
Krop, Velzen, et al., 1997
Krop, Hildo B.; Velzen, Martin J.M.v.; Parsons, John R.; Govers, Harrie A.J.,
Determination of environmentally relevant physical-chemical properties of some fatty acid esters,
J Amer Oil Chem Soc, 1997, 74, 3, 309-315, https://doi.org/10.1007/s11746-997-0142-9
. [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]
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, 1964
Rose, Arthur.; Schrodt, V.N.,
Vapor-Liquid Equilibria for the Methyl Oleate and Methyl Stearate Binary System.,
J. Chem. Eng. Data, 1964, 9, 1, 12-16, https://doi.org/10.1021/je60020a006
. [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]
King and Garner, 1936
King, A.M.; Garner, W.E.,
The heats of crystallization of methyl and ethyl esters of monobasic fatty acids, 1936, J. [all data]
Nikolic, Marinovic-Cincovic, et al., 2003
Nikolic, R.; Marinovic-Cincovic, M.; Gadzuric, S.; Zsigrai, I.J.,
New materials for solar thermal storage---solid/liquid transitions in fatty acid esters,
Solar Energy Materials and Solar Cells, 2003, 79, 3, 285-292, https://doi.org/10.1016/S0927-0248(02)00412-9
. [all data]
King and Garner, 1936, 2
King, A. Millicent; Garner, William E.,
297. The heats of crystallisation of methyl and ethyl esters of monobasic fatty acids,
J. Chem. Soc., 1936, 1372, https://doi.org/10.1039/jr9360001372
. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion 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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