- 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/h7-8,17-20,23-26H,9-16H2,1-6H3/b8-7+
- InChI Key
- OWYXOXZSAKVGHJ-BQYQJAHWSA-N
- Formula
- C28H44O
- SMILES
-
CC(C)C(C)C=CC(C)C1CCC2C3CCC4=C
C(=O)CCC4(C)C3CCC12C - Molecular Weight1
- 396.65
- CAS
- 4030-92-6
- Other Names
-
- Brassicasterone
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 311.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.51 | kJ/mol | Joback Calculated Property |
| log10WS | -7.93 | Crippen Calculated Property | |
| logPoct/wat | 7.619 | Crippen Calculated Property | |
| McVol | 354.910 | ml/mol | McGowan Calculated Property |
| Pc | 1037.23 | kPa | Joback Calculated Property |
| Inp | 3235.00 | NIST | |
| Tboil | 954.29 | K | Joback Calculated Property |
| Tc | 1194.90 | K | Joback Calculated Property |
| Tfus | 530.22 | K | Joback Calculated Property |
| Vc | 1.341 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1318.15; 1531.03] | J/mol×K | [954.29; 1194.90] | 
|
| Cp,gas | 1318.15 | J/mol×K | 954.29 | Joback Calculated Property |
| Cp,gas | 1350.90 | J/mol×K | 994.39 | Joback Calculated Property |
| Cp,gas | 1384.22 | J/mol×K | 1034.49 | Joback Calculated Property |
| Cp,gas | 1418.50 | J/mol×K | 1074.60 | Joback Calculated Property |
| Cp,gas | 1454.13 | J/mol×K | 1114.70 | Joback Calculated Property |
| Cp,gas | 1491.51 | J/mol×K | 1154.80 | Joback Calculated Property |
| Cp,gas | 1531.03 | J/mol×K | 1194.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ergosta-4,22-dien-3-one.
Sources
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