- InChI
- InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
- InChI Key
- JYGXADMDTFJGBT-UHFFFAOYSA-N
- Formula
- C21H30O5
- SMILES
-
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C
)C1CCC2(O)C(=O)CO - Molecular Weight1
- 362.46
- CAS
- 116907-82-5
- Other Names
-
- 17Alpha-hydroxycorticosterone
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.8634 | Relay (1.0) Calculated Property | |
| ΔfG° | -372.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 156.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.782 | Crippen Calculated Property | |
| McVol | 279.760 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Tboil | 685.30 | K | Relay (1.0) Calculated Property |
| Tc | 1038.14 | K | Relay (1.0) Calculated Property |
| Tfus | 495.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.991 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1185.49; 1514.13] | J/mol×K | [1117.27; 1367.94] | 
|
| Cp,gas | 1185.49 | J/mol×K | 1117.27 | Joback Calculated Property |
| Cp,gas | 1228.38 | J/mol×K | 1159.05 | Joback Calculated Property |
| Cp,gas | 1275.34 | J/mol×K | 1200.83 | Joback Calculated Property |
| Cp,gas | 1326.87 | J/mol×K | 1242.60 | Joback Calculated Property |
| Cp,gas | 1383.50 | J/mol×K | 1284.38 | Joback Calculated Property |
| Cp,gas | 1445.75 | J/mol×K | 1326.16 | Joback Calculated Property |
| Cp,gas | 1514.13 | J/mol×K | 1367.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 11Beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione.
Sources
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