- InChI
- InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m0/s1
- InChI Key
- DBPWSSGDRRHUNT-WSBLSWJJSA-N
- Formula
- C21H30O3
- SMILES
-
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CC
C4(C)C3CCC21C - Molecular Weight1
- 330.46
- CAS
- 68-96-2
- Other Names
-
- Pregn-4-ene-3,20-dione, 17-hydroxy-
- Gestageno Gador
- Prodix
- Prodox
- 17-Hydroxypregn-4-en-3,20-dione
- 17-Hydroxyprogesterone
- 17-Hydroxypregn-4-ene-3,20-dione
- Gestageno
- hydroxyprogesterone
- 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° | -91.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.838 | Crippen Calculated Property | |
| McVol | 268.020 | ml/mol | McGowan Calculated Property |
| Pc | 1875.65 | kPa | Joback Calculated Property |
| Inp | [2991.90; 2991.90] |
|
|
| Inp | 2991.90 | NIST | |
| Inp | 2991.90 | NIST | |
| Tboil | 937.58 | K | Joback Calculated Property |
| Tc | 1179.49 | K | Joback Calculated Property |
| Tfus | 636.06 | K | Joback Calculated Property |
| Vc | 1.010 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [991.36; 1206.99] | J/mol×K | [937.58; 1179.49] |
|
| Cp,gas | 991.36 | J/mol×K | 937.58 | Joback Calculated Property |
| Cp,gas | 1021.25 | J/mol×K | 977.90 | Joback Calculated Property |
| Cp,gas | 1052.94 | J/mol×K | 1018.22 | Joback Calculated Property |
| Cp,gas | 1086.89 | J/mol×K | 1058.54 | Joback Calculated Property |
| Cp,gas | 1123.57 | J/mol×K | 1098.85 | Joback Calculated Property |
| Cp,gas | 1163.45 | J/mol×K | 1139.17 | Joback Calculated Property |
| Cp,gas | 1206.99 | J/mol×K | 1179.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 17«alpha»-Hydroxyprogesterone.
Sources
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