- InChI
- InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m1/s1
- InChI Key
- BFZHCUBIASXHPK-FVCOPRDSSA-N
- Formula
- C21H30O3
- SMILES
-
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(
C)C3C(O)CC12C - Molecular Weight1
- 330.46
- CAS
- 80-75-1
- Other Names
-
- Pregn-4-ene-3,20-dione, 11«alpha»-hydroxy-
- U 0384
- 11«alpha»-Hydroxyprogesterone
- 4-Pregnen-11«alpha»-ol-3,20-dione
- Progesterone, 11«alpha»-hydroxy-
- (11«alpha»)-11-Hydroxypregn-4-ene-3,20-dione
- 11-«alpha»-hydroxypregn-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).
- 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 |
|---|---|---|---|
| ω | 0.6264 | Relay (1.0) Calculated Property | |
| ΔfG° | -93.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -601.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.694 | Crippen Calculated Property | |
| McVol | 268.020 | ml/mol | McGowan Calculated Property |
| Pc | 1755.07 | kPa | Joback Calculated Property |
| Inp | [3104.00; 3336.70] |
|
|
| Inp | 3336.70 | NIST | |
| Inp | 3104.00 | NIST | |
| Inp | 3336.70 | NIST | |
| Tboil | 665.48 | K | Relay (1.0) Calculated Property |
| Tc | 967.24 | K | Relay (1.0) Calculated Property |
| Tfus | 460.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.941 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [993.63; 1161.46] | J/mol×K | [932.67; 1169.03] |
|
| Cp,gas | 993.63 | J/mol×K | 932.67 | Joback Calculated Property |
| Cp,gas | 1019.24 | J/mol×K | 972.06 | Joback Calculated Property |
| Cp,gas | 1045.37 | J/mol×K | 1011.46 | Joback Calculated Property |
| Cp,gas | 1072.34 | J/mol×K | 1050.85 | Joback Calculated Property |
| Cp,gas | 1100.47 | J/mol×K | 1090.24 | Joback Calculated Property |
| Cp,gas | 1130.07 | J/mol×K | 1129.63 | Joback Calculated Property |
| Cp,gas | 1161.46 | J/mol×K | 1169.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pregn-4-ene-3,20-dione, 11-hydroxy-, (11«alpha»)-.
Sources
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