- InChI
- InChI=1S/C23H32O4/c1-13(24)18-7-8-19-17-6-5-15-11-16(26)9-10-22(15,3)21(17)20(27-14(2)25)12-23(18,19)4/h11,17-21H,5-10,12H2,1-4H3
- InChI Key
- IWRPVTXREVYBHT-UHFFFAOYSA-N
- Formula
- C23H32O4
- SMILES
-
CC(=O)OC1CC2(C)C(C(C)=O)CCC2C2
CCC3=CC(=O)CCC3(C)C12 - Molecular Weight1
- 372.50
- CAS
- 2268-98-6
- Other Names
-
- Pregn-4-ene-3,20-dione, 11-(acetyloxy)-, (11«alpha»)-
- 11«alpha»-Acetoxyprogesterone
- 11«alpha»-acetoxypregn-4-ene-3,20-dione
- Progesterone, 11alpha-hydroxy-, acetate
- 11«alpha»-Hydroxyprogesterone Acetate
- 4-Pregnen-11«alpha»-ol-3,20-dione Acetate
- 3,20-Dioxopregn-4-en-11-yl acetate, (11«alpha»)-
- 11Alpha-acetoxypregn-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 | 0.6042 | Relay (... Calculated Property | |
| ΔfG° | -173.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -779.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.52 | eV | Relay (... Calculated Property |
| log10WS | -4.41 | Relay (... Calculated Property | |
| logPoct/wat | 4.265 | Crippen Calculated Property | |
| McVol | 297.770 | ml/mol | McGowan Calculated Property |
| Pc | 1451.25 | kPa | Joback Calculated Property |
| Tboil | 672.12 | K | Relay (... Calculated Property |
| Tc | 955.88 | K | Relay (... Calculated Property |
| Tfus | 405.00 | K | Relay (... Calculated Property |
| Vc | 1.042 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1104.24; 1286.22] | J/mol×K | [962.54; 1208.68] | 
|
| Cp,gas | 1104.24 | J/mol×K | 962.54 | Joback Calculated Property |
| Cp,gas | 1132.17 | J/mol×K | 1003.56 | Joback Calculated Property |
| Cp,gas | 1160.62 | J/mol×K | 1044.59 | Joback Calculated Property |
| Cp,gas | 1189.90 | J/mol×K | 1085.61 | Joback Calculated Property |
| Cp,gas | 1220.38 | J/mol×K | 1126.63 | Joback Calculated Property |
| Cp,gas | 1252.37 | J/mol×K | 1167.66 | Joback Calculated Property |
| Cp,gas | 1286.22 | J/mol×K | 1208.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pregn-4-ene-3,20-dione, 11«alpha»-hydroxy-, acetate.
Sources
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