- InChI
- InChI=1S/C24H36O3/c1-5-22(26)27-17-10-12-23(3)16(14-17)6-7-18-20-9-8-19(15(2)25)24(20,4)13-11-21(18)23/h6,17-21H,5,7-14H2,1-4H3
- InChI Key
- YDVRGLSUPTYULK-UHFFFAOYSA-N
- Formula
- C24H36O3
- SMILES
-
CCC(=O)OC1CCC2(C)C(=CCC3C2CCC2
(C)C(C(C)=O)CCC32)C1 - Molecular Weight1
- 372.54
- 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 | 0.5930 | Relay (1.0) Calculated Property | |
| ΔfG° | -42.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -658.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.476 | Crippen Calculated Property | |
| McVol | 310.290 | ml/mol | McGowan Calculated Property |
| Pc | 1316.56 | kPa | Joback Calculated Property |
| Inp | 2487.00 | NIST | |
| Tboil | 659.42 | K | Relay (1.0) Calculated Property |
| Tc | 943.67 | K | Relay (1.0) Calculated Property |
| Tfus | 407.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.101 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1123.33; 1300.92] | J/mol×K | [917.60; 1152.04] | 
|
| Cp,gas | 1123.33 | J/mol×K | 917.60 | Joback Calculated Property |
| Cp,gas | 1151.07 | J/mol×K | 956.67 | Joback Calculated Property |
| Cp,gas | 1179.11 | J/mol×K | 995.75 | Joback Calculated Property |
| Cp,gas | 1207.77 | J/mol×K | 1034.82 | Joback Calculated Property |
| Cp,gas | 1237.41 | J/mol×K | 1073.89 | Joback Calculated Property |
| Cp,gas | 1268.34 | J/mol×K | 1112.97 | Joback Calculated Property |
| Cp,gas | 1300.92 | J/mol×K | 1152.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Pregnen-3«beta»-ol-20-one, propionate.
Sources
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