- InChI
- InChI=1S/C22H30O4/c1-13(24)17-6-7-18-16-5-4-14-10-15(25)8-9-21(14,2)20(16)19(26-12-23)11-22(17,18)3/h10,12,16-20H,4-9,11H2,1-3H3
- InChI Key
- OLKQKENKNWZZPM-UHFFFAOYSA-N
- Formula
- C22H30O4
- SMILES
-
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(
C)C3C(OC=O)CC12C - Molecular Weight1
- 358.47
- 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° | -152.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.93 | kJ/mol | Joback Calculated Property |
| log10WS | -4.55 | Crippen Calculated Property | |
| logPoct/wat | 3.875 | Crippen Calculated Property | |
| McVol | 283.680 | ml/mol | McGowan Calculated Property |
| Pc | 1577.21 | kPa | Joback Calculated Property |
| Inp | 2536.00 | NIST | |
| Tboil | 934.45 | K | Joback Calculated Property |
| Tc | 1179.72 | K | Joback Calculated Property |
| Tfus | 622.60 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.96; 1209.20] | J/mol×K | [934.45; 1179.72] | 
|
| Cp,gas | 1036.96 | J/mol×K | 934.45 | Joback Calculated Property |
| Cp,gas | 1063.64 | J/mol×K | 975.33 | Joback Calculated Property |
| Cp,gas | 1090.69 | J/mol×K | 1016.21 | Joback Calculated Property |
| Cp,gas | 1118.44 | J/mol×K | 1057.09 | Joback Calculated Property |
| Cp,gas | 1147.22 | J/mol×K | 1097.96 | Joback Calculated Property |
| Cp,gas | 1177.36 | J/mol×K | 1138.84 | Joback Calculated Property |
| Cp,gas | 1209.20 | J/mol×K | 1179.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11«alpha»-hydroxyprogesterone, formate.
Sources
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