- InChI
- InChI=1S/C20H30O3/c1-19-9-7-14(23-12-21)11-13(19)3-4-15-16-5-6-18(22)20(16,2)10-8-17(15)19/h12-17H,3-11H2,1-2H3
- InChI Key
- NLSNLCXINBNSRI-UHFFFAOYSA-N
- Formula
- C20H30O3
- SMILES
-
CC12CCC3C(CCC4CC(OC=O)CCC43C)C
1CCC2=O - Molecular Weight1
- 318.45
- 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° | -61.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -581.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.140 | Crippen Calculated Property | |
| McVol | 258.230 | ml/mol | McGowan Calculated Property |
| Pc | 1721.73 | kPa | Joback Calculated Property |
| Inp | [2344.00; 2344.00] |
|
|
| Inp | 2344.00 | NIST | |
| Inp | 2344.00 | NIST | |
| Tboil | 830.68 | K | Joback Calculated Property |
| Tc | 1076.08 | K | Joback Calculated Property |
| Tfus | 536.85 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [912.89; 1073.36] | J/mol×K | [830.68; 1076.08] |
|
| Cp,gas | 912.89 | J/mol×K | 830.68 | Joback Calculated Property |
| Cp,gas | 939.50 | J/mol×K | 871.58 | Joback Calculated Property |
| Cp,gas | 965.71 | J/mol×K | 912.48 | Joback Calculated Property |
| Cp,gas | 991.87 | J/mol×K | 953.38 | Joback Calculated Property |
| Cp,gas | 1018.30 | J/mol×K | 994.28 | Joback Calculated Property |
| Cp,gas | 1045.36 | J/mol×K | 1035.18 | Joback Calculated Property |
| Cp,gas | 1073.36 | J/mol×K | 1076.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Trans-androsterone, formate.
Sources
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