Ergosterol
- Formula: C28H44O
- Molecular weight: 396.6484
- IUPAC Standard InChI: InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19?,20?,22-,24?,25?,26?,27?,28?/m1/s1
- IUPAC Standard InChIKey: DNVPQKQSNYMLRS-CVGROQQCSA-N
- CAS Registry Number: 57-87-4
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Ergosta-5,7,22-trien-3-ol, (3β,22E)-; Ergosterin; Provitamin D; Provitamin D2; (3β)-Ergosta-5,7,22- trien-3-ol; (3β,22E)-Ergosta-5,7,22-trien-3-ol; Ergosterol, # 2; Ergosta-5,7,22-trien-3β-ol; Ergosterol, # 1
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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 |
|---|---|---|---|---|---|
| ΔfH°solid | -788.2 ± 2.1 | kJ/mol | Ccb | Bills, McDonald, et al., 1931 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -16518.4 | kJ/mol | Ccb | Bills, McDonald, et al., 1931 | Corresponding ΔfHºsolid = -788.14 kJ/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
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 as indicated in comments:
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 |
|---|---|---|---|---|---|
| ΔsubH° | 118.8 | kJ/mol | V | Hickman, Hecker, et al., 1937 | ALS |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 118.7 | 436. | A | Stephenson and Malanowski, 1987 | Based on data from 421. to 454. K.; AC |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 147.0 ± 0.9 | 318. to 412. | ME | Oja, Chen, et al., 2009 | AC |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Bills, McDonald, et al., 1931
Bills, C.E.; McDonald, F.G.; Be-Miller, L.N.; Steel, G.E.; Nussmeier, M.,
Heat of combustion of activated ergosterol,
J. Biol. Chem., 1931, 93, 775-785. [all data]
Hickman, Hecker, et al., 1937
Hickman, K.C.D.; Hecker, J.C.; Embree, N.D.,
Direct determination of low vapor pressures,
Ind. Eng. Chem., 1937, 9, 264-267. [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]
Oja, Chen, et al., 2009
Oja, Vahur; Chen, Xu; Hajaligol, Mohammad R.; Chan, W. Geoffrey,
Sublimation Thermodynamic Parameters for Cholesterol, Ergosterol, β-Sitosterol, and Stigmasterol,
J. Chem. Eng. Data, 2009, 54, 3, 730-734, https://doi.org/10.1021/je800395m
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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