Trilinolein
- Formula: C57H98O6
- Molecular weight: 879.3844
- IUPAC Standard InChI: InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-
- IUPAC Standard InChIKey: HBOQXIRUPVQLKX-BBWANDEASA-N
- CAS Registry Number: 537-40-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 9,12-Octadecadienoic acid (Z,Z)-, 1,2,3-propanetriyl ester; propane-1,2,3-triyl tris[(9Z,12Z)-octadeca-9,12-dienoate]
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Condensed phase thermochemistry data
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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
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔcH°liquid | -8259.00 ± 0.31 | kcal/mol | Ccb | Freedman, Bagby, et al., 1989 | Corresponding ΔfHºliquid = -449.35 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry 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
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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 | Japan AIST/NIMC Database- Spectrum MS-IW-5614 |
| NIST MS number | 237314 |
References
Go To: Top, Condensed phase thermochemistry 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.
Freedman, Bagby, et al., 1989
Freedman, B.; Bagby, M.O.; Khoury, H.,
Correlation of heats of combustion with empirical formulas for fatty alcohols,
J. Am. Oil Chem. Soc., 1989, 66, 595-596. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°liquid Enthalpy of combustion of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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