- InChI
- InChI=1S/C32H54O2/c1-9-24(20(2)3)11-10-21(4)26-14-15-28-25-12-13-27-22(5)30(34-23(6)33)17-19-32(27,8)29(25)16-18-31(26,28)7/h20-22,24,26-27,29-30H,9-19H2,1-8H3/t21-,22-,24?,26?,27?,29?,30-,31+,32-/m1/s1
- InChI Key
- XVXYPWSUIYJWOZ-QMTMGZMRSA-N
- Formula
- C32H54O2
- SMILES
-
CCC(CCC(C)C1CCC2=C3CCC4C(C)C(O
C(C)=O)CCC4(C)C3CCC21C)C(C)C - Molecular Weight1
- 470.77
- 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 | 0.7105 | Relay (1.0) Calculated Property | |
| ΔfG° | 136.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.986 | Crippen Calculated Property | |
| McVol | 421.440 | ml/mol | McGowan Calculated Property |
| Pc | 781.12 | kPa | Joback Calculated Property |
| Inp | 3408.00 | NIST | |
| Tboil | 706.03 | K | Relay (1.0) Calculated Property |
| Tc | 984.90 | K | Relay (1.0) Calculated Property |
| Tfus | 379.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.491 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1650.78; 1895.72] | J/mol×K | [1050.43; 1287.54] | 
|
| Cp,gas | 1650.78 | J/mol×K | 1050.43 | Joback Calculated Property |
| Cp,gas | 1687.77 | J/mol×K | 1089.95 | Joback Calculated Property |
| Cp,gas | 1725.79 | J/mol×K | 1129.47 | Joback Calculated Property |
| Cp,gas | 1765.22 | J/mol×K | 1168.98 | Joback Calculated Property |
| Cp,gas | 1806.43 | J/mol×K | 1208.50 | Joback Calculated Property |
| Cp,gas | 1849.81 | J/mol×K | 1248.02 | Joback Calculated Property |
| Cp,gas | 1895.72 | J/mol×K | 1287.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4A-Methyl-8(14)-stigmastenol acetate.
Sources
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