- InChI
- InChI=1S/C27H44O3/c1-4-5-6-7-8-9-25(29)30-20-14-16-26(2)19(18-20)10-11-21-22-12-13-24(28)27(22,3)17-15-23(21)26/h19-23H,4-18H2,1-3H3
- InChI Key
- BTEOMWNRKOOBJV-UHFFFAOYSA-N
- Formula
- C27H44O3
- SMILES
-
CCCCCCCC(=O)OC1CCC2(C)C(CCC3C4
CCC(=O)C4(C)CCC32)C1 - Molecular Weight1
- 416.64
- 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° | -31.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.38 | kJ/mol | Joback Calculated Property |
| log10WS | -7.51 | Crippen Calculated Property | |
| logPoct/wat | 6.870 | Crippen Calculated Property | |
| McVol | 356.860 | ml/mol | McGowan Calculated Property |
| Pc | 1045.30 | kPa | Joback Calculated Property |
| Inp | [2788.00; 2788.00] |
|
|
| Inp | 2788.00 | NIST | |
| Inp | 2788.00 | NIST | |
| Tboil | 996.05 | K | Joback Calculated Property |
| Tc | 1230.12 | K | Joback Calculated Property |
| Tfus | 623.67 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1378.22; 1581.33] | J/mol×K | [996.05; 1230.12] |
|
| Cp,gas | 1378.22 | J/mol×K | 996.05 | Joback Calculated Property |
| Cp,gas | 1409.86 | J/mol×K | 1035.06 | Joback Calculated Property |
| Cp,gas | 1441.96 | J/mol×K | 1074.07 | Joback Calculated Property |
| Cp,gas | 1474.84 | J/mol×K | 1113.09 | Joback Calculated Property |
| Cp,gas | 1508.81 | J/mol×K | 1152.10 | Joback Calculated Property |
| Cp,gas | 1544.21 | J/mol×K | 1191.11 | Joback Calculated Property |
| Cp,gas | 1581.33 | J/mol×K | 1230.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-androsterone, octanoate.
Sources
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