- InChI
- InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10-11,19-21,24,26-28H,8-9,12-18H2,1-7H3/t20?,21?,24-,26?,27?,28?,29?,30?/m1/s1
- InChI Key
- OEQXNFVIQLJFHG-NQNNFHKGSA-N
- Formula
- C30H48O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2
(C)C3CCC2C(C)CCC(C)C(C)C)C1 - Molecular Weight1
- 440.70
- Other Names
-
- 5,7-Ergostadienol acetate
- 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° | 157.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -580.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.87 | kJ/mol | Joback Calculated Property |
| log10WS | -8.71 | Crippen Calculated Property | |
| logPoct/wat | 8.126 | Crippen Calculated Property | |
| McVol | 388.960 | ml/mol | McGowan Calculated Property |
| Pc | 908.89 | kPa | Joback Calculated Property |
| Inp | 3323.00 | NIST | |
| Tboil | 1008.50 | K | Joback Calculated Property |
| Tc | 1242.10 | K | Joback Calculated Property |
| Tfus | 575.06 | K | Joback Calculated Property |
| Vc | 1.476 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1470.58; 1692.64] | J/mol×K | [1008.50; 1242.10] | 
|
| Cp,gas | 1470.58 | J/mol×K | 1008.50 | Joback Calculated Property |
| Cp,gas | 1504.16 | J/mol×K | 1047.43 | Joback Calculated Property |
| Cp,gas | 1538.62 | J/mol×K | 1086.37 | Joback Calculated Property |
| Cp,gas | 1574.34 | J/mol×K | 1125.30 | Joback Calculated Property |
| Cp,gas | 1611.67 | J/mol×K | 1164.23 | Joback Calculated Property |
| Cp,gas | 1650.98 | J/mol×K | 1203.16 | Joback Calculated Property |
| Cp,gas | 1692.64 | J/mol×K | 1242.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D7-Campesterol acetate.
Sources
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