- InChI
- InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m1/s1
- InChI Key
- CRRKVZVYZQXICQ-AKCLOJTASA-N
- Formula
- C23H34O3
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(C(C)=O)CCC32)C1 - Molecular Weight1
- 358.51
- CAS
- 1778-02-5
- Other Names
-
- Pregn-5-en-20-one, 3-(acetyloxy)-, (3«beta»)-
- Pregn-5-en-20-one, 3«beta»-hydroxy-, acetate
- Antofin
- Artivis
- Enescorb
- Pregenolone acetate
- Pregnenolone-3-acetate
- Previsone
- Sharmone
- 5-Pregnen-3-«beta»-ol-20-one acetate
- 20-Oxopregn-5-en-3«beta»-yl acetate
- 5-Allopregnene-3«beta»-ol-20-one acetate
- 5-Pregnenolone acetate
- 3«beta»-Acetoxypregn-5-en-20-one
- 3Beta-acetoxypregn-5-en-20-one
- 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 | 0.5513 | Relay (1.0) Calculated Property | |
| ΔfG° | -51.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.086 | Crippen Calculated Property | |
| McVol | 296.200 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Tboil | 651.49 | K | Relay (1.0) Calculated Property |
| Tc | 933.22 | K | Relay (1.0) Calculated Property |
| Tfus | 412.20 | K | Relay (1.0) Calculated Property |
| Vc | 1.048 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1058.02; 1229.37] | J/mol×K | [894.72; 1131.47] | 
|
| Cp,gas | 1058.02 | J/mol×K | 894.72 | Joback Calculated Property |
| Cp,gas | 1085.02 | J/mol×K | 934.18 | Joback Calculated Property |
| Cp,gas | 1112.19 | J/mol×K | 973.64 | Joback Calculated Property |
| Cp,gas | 1139.86 | J/mol×K | 1013.10 | Joback Calculated Property |
| Cp,gas | 1168.39 | J/mol×K | 1052.56 | Joback Calculated Property |
| Cp,gas | 1198.11 | J/mol×K | 1092.01 | Joback Calculated Property |
| Cp,gas | 1229.37 | J/mol×K | 1131.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pregnenolone acetate.
Sources
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