- InChI
- InChI=1S/C30H46O2/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/h8-10,19-21,24,26-27H,11-18H2,1-7H3/b9-8+/t20?,21-,24-,26?,27?,29-,30+/m1/s1
- InChI Key
- PHJBQRYRTHXDED-KNNMHKCVSA-N
- Formula
- C30H46O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3=C2CCC2
(C)C3CCC2C(C)C=CC(C)C(C)C)C1 - Molecular Weight1
- 438.69
- 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° | 235.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -454.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.80 | kJ/mol | Joback Calculated Property |
| log10WS | -8.80 | Crippen Calculated Property | |
| logPoct/wat | 8.046 | Crippen Calculated Property | |
| McVol | 384.660 | ml/mol | McGowan Calculated Property |
| Pc | 948.50 | kPa | Joback Calculated Property |
| Inp | 3246.00 | NIST | |
| Tboil | 1022.31 | K | Joback Calculated Property |
| Tc | 1260.96 | K | Joback Calculated Property |
| Tfus | 586.74 | K | Joback Calculated Property |
| Vc | 1.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1442.05; 1678.48] | J/mol×K | [1022.31; 1260.96] | 
|
| Cp,gas | 1442.05 | J/mol×K | 1022.31 | Joback Calculated Property |
| Cp,gas | 1476.72 | J/mol×K | 1062.09 | Joback Calculated Property |
| Cp,gas | 1512.73 | J/mol×K | 1101.86 | Joback Calculated Property |
| Cp,gas | 1550.51 | J/mol×K | 1141.64 | Joback Calculated Property |
| Cp,gas | 1590.46 | J/mol×K | 1181.41 | Joback Calculated Property |
| Cp,gas | 1632.98 | J/mol×K | 1221.19 | Joback Calculated Property |
| Cp,gas | 1678.48 | J/mol×K | 1260.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5,8,22-Ergostatrienol acetate.
Sources
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