- InChI
- InChI=1S/C31H48O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h9-10,12,21,23-25,27-29H,2,8,11,13-19H2,1,3-7H3/b10-9+/t21-,23+,24?,25-,27?,28?,29?,30-,31+/m1/s1
- InChI Key
- YOXXESRXSQRNHU-KVFPURPRSA-N
- Formula
- C31H48O2
- SMILES
-
C=C(C)C(C=CC(C)C1CCC2C3=CCC4CC
(OC(C)=O)CCC4(C)C3CCC21C)CC - Molecular Weight1
- 452.71
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 299.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -429.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.58 | kJ/mol | Joback Calculated Property |
| log10WS | -8.98 | Crippen Calculated Property | |
| logPoct/wat | 8.292 | Crippen Calculated Property | |
| McVol | 398.750 | ml/mol | McGowan Calculated Property |
| Pc | 877.39 | kPa | Joback Calculated Property |
| Inp | 3346.00 | NIST | |
| Tboil | 1023.73 | K | Joback Calculated Property |
| Tc | 1261.05 | K | Joback Calculated Property |
| Tfus | 563.01 | K | Joback Calculated Property |
| Vc | 1.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1516.89; 1755.98] | J/mol×K | [1023.73; 1261.05] | 
|
| Cp,gas | 1516.89 | J/mol×K | 1023.73 | Joback Calculated Property |
| Cp,gas | 1552.36 | J/mol×K | 1063.28 | Joback Calculated Property |
| Cp,gas | 1589.04 | J/mol×K | 1102.84 | Joback Calculated Property |
| Cp,gas | 1627.34 | J/mol×K | 1142.39 | Joback Calculated Property |
| Cp,gas | 1667.65 | J/mol×K | 1181.94 | Joback Calculated Property |
| Cp,gas | 1710.39 | J/mol×K | 1221.50 | Joback Calculated Property |
| Cp,gas | 1755.98 | J/mol×K | 1261.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7,22,25-Stigmastatrienol acetate, 24-«alpha».
Sources
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