- InChI
- InChI=1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3/t15-,16-,17-,18+,20-,21+/m1/s1
- InChI Key
- LFISWQXWWGJHBL-ZPMOIGASSA-N
- Formula
- C21H30O4
- SMILES
-
CC12CCC3C(CCC4=CC(=O)CCC43CO)C
1CCC2C(=O)CO - Molecular Weight1
- 346.46
- CAS
- 2394-23-2
- Other Names
-
- 19-Hydroxydesoxycorticosterone
- 19,21-Dihydroxypregn-4-ene-3,20-dione
- 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 | 0.8154 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -675.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.668 | Crippen Calculated Property | |
| McVol | 273.890 | ml/mol | McGowan Calculated Property |
| Pc | 1954.41 | kPa | Joback Calculated Property |
| Tboil | 688.54 | K | Relay (1.0) Calculated Property |
| Tc | 1023.39 | K | Relay (1.0) Calculated Property |
| Tfus | 465.47 | K | Relay (1.0) Calculated Property |
| Vc | 0.946 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1069.74; 1263.17] | J/mol×K | [1029.52; 1265.33] | 
|
| Cp,gas | 1069.74 | J/mol×K | 1029.52 | Joback Calculated Property |
| Cp,gas | 1097.37 | J/mol×K | 1068.82 | Joback Calculated Property |
| Cp,gas | 1126.40 | J/mol×K | 1108.12 | Joback Calculated Property |
| Cp,gas | 1157.17 | J/mol×K | 1147.43 | Joback Calculated Property |
| Cp,gas | 1190.01 | J/mol×K | 1186.73 | Joback Calculated Property |
| Cp,gas | 1225.23 | J/mol×K | 1226.03 | Joback Calculated Property |
| Cp,gas | 1263.17 | J/mol×K | 1265.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pregn-4-ene-3,20-dione, 19,21-dihydroxy-.
Sources
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