Octadecanoic acid, 2,3-dihydroxypropyl ester
- Formula: C21H42O4
- Molecular weight: 358.5558
- IUPAC Standard InChI: InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
- IUPAC Standard InChIKey: VBICKXHEKHSIBG-UHFFFAOYSA-N
- CAS Registry Number: 123-94-4
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: Stearin, 1-mono-; α-Monostearin; Aldo MSD; Aldo MSLG; Aldo 33; Aldo 75; Arlacel 165; Emerest 2407; Glycerin 1-monostearate; Glycerin 1-stearate; Glycerol α-monostearate; Glycerol 1-monostearate; Glycerol 1-stearate; Glyceryl 1-monostearate; Sandin EU; Stearic acid α-monoglyceride; Stearic acid 1-monoglyceride; Tegin 55G; 1-Glyceryl stearate; 1-Monostearin; 1-Monostearoylglycerol; 1,2,3-Propanetriol 1-octadecanoyl ester; Glycerol α-sterate; Monostearin (l); 3-Stearoyloxy-1,2-propanediol; NSC 3875; Glyceryl 1-octadecanoate; 2,3-Dihydroxypropyl stearate; Monostearin; Tegin (Related); Tegin 515 (Related); Glyceryl stearate (Related); Glyceryl monostearate (Related)
- Information on this page:
- Other data available:
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Condensed phase thermochemistry data
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -1337.8 ± 2.2 | kJ/mol | Ccb | Silbert, Daubert, et al., 1965 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -12928.8 ± 1.8 | kJ/mol | Ccb | Silbert, Daubert, et al., 1965 | Corresponding ΔfHºsolid = -1337.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 610.4 | 298. | Silbert, Daubert, et al., 1965 | BL-form.; DH |
| 866.0 | 298.2 | Ward, Vicknair, et al., 1955 | crystaline, α phase; T = -74 to 114°C. Give experimental points and equations for solid and liquid states. Sub-alpha form, Cp = 0.4977 + 0.00318t cal/g*K, -13 to 40°C; liquid, Cp = 0.5118 + 0.00182t cal/g*K, 87 to 100°C.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 347.2 | K | N/A | Ward, Vicknair, et al., 1955, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of phase transition
| ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 59.095 | 347.2 | crystaline, α | liquid | Ward, Vicknair, et al., 1955 | DH |
Entropy of phase transition
| ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 170.2 | 347.2 | crystaline, α | liquid | Ward, Vicknair, et al., 1955 | DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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)
- SOLID (NEAT); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
- SOLID (NUJOL MULL) $$ SEE SPECTRUM NO. 6405 FOR "SOLUTION" RUN $$SPECTRAL CONTAMINATION DUE TO OIL AROUND 2900 CM-1; BAIRD (PRISM); DIGITIZED BY NIST FROM HARD COPY; 2 cm-1 resolution
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Silbert, Daubert, et al., 1965
Silbert, L.S.; Daubert, B.F.; Mason, L.S.,
The heats of combustion, formation, and isomerization of isomeric monoglycerides,
J. Phys. Chem., 1965, 69, 2887-2894. [all data]
Ward, Vicknair, et al., 1955
Ward, T.L.; Vicknair, E.J.; Singleton, W.S.; Feuge, R.O.,
Some thermal properties of 1-monostearin, 1-aceto-3-stearin and 1,2-diaceto-3-stearin,
J. Phys. Chem., 1955, 59, 4-7. [all data]
Ward, Vicknair, et al., 1955, 2
Ward, T.L.; Vicknair, E.J.; Singleton, W.S.; Feuge, R.O.,
Some thermal properties of 1-monostearin, 1-aceto-3-stearin and 1,2-diaceto-3-stearin,
J. Phys. Chem., 1955, 59, 4. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tfus Fusion (melting) point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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