- InChI
- InChI=1S/C39H66O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-37(41)42-32-25-27-38(3)31(29-32)21-22-33-35-24-23-34(30(2)40)39(35,4)28-26-36(33)38/h12-13,31-36H,5-11,14-29H2,1-4H3/b13-12-/t31-,32+,33?,34+,35?,36?,38-,39+/m1/s1
- InChI Key
- VRMZKDGHPVGVHQ-WEOJVLFXSA-N
- Formula
- C39H66O3
- SMILES
-
CCCCCCCCC=CCCCCCCCC(=O)OC1CCC2
(C)C(CCC3C2CCC2(C)C(C(C)=O)CCC 32)C1 - Molecular Weight1
- 582.94
- 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 | 1.0965 | Relay (... Calculated Property | |
| ΔfG° | 135.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1038.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 75.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 168.56 | kJ/mol | Relay (... Calculated Property |
| IE | 8.72 | eV | Relay (... Calculated Property |
| log10WS | -9.42 | Relay (... Calculated Property | |
| logPoct/wat | 11.184 | Crippen Calculated Property | |
| McVol | 521.640 | ml/mol | McGowan Calculated Property |
| Pc | 567.43 | kPa | Joback Calculated Property |
| Inp | 4585.00 | NIST | |
| Tboil | 782.70 | K | Relay (... Calculated Property |
| Tc | 1068.54 | K | Relay (... Calculated Property |
| Tfus | 383.84 | K | Relay (... Calculated Property |
| Vc | 1.870 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2255.89; 2772.02] | J/mol×K | [1256.15; 1569.71] | 
|
| Cp,gas | 2255.89 | J/mol×K | 1256.15 | Joback Calculated Property |
| Cp,gas | 2324.66 | J/mol×K | 1308.41 | Joback Calculated Property |
| Cp,gas | 2399.01 | J/mol×K | 1360.67 | Joback Calculated Property |
| Cp,gas | 2479.93 | J/mol×K | 1412.93 | Joback Calculated Property |
| Cp,gas | 2568.41 | J/mol×K | 1465.19 | Joback Calculated Property |
| Cp,gas | 2665.44 | J/mol×K | 1517.45 | Joback Calculated Property |
| Cp,gas | 2772.02 | J/mol×K | 1569.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5A-Pregnanolone oleate.
Sources
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