- InChI
- InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21?,22+,23+,24?,25-,26?,27+,28+,29-/m0/s1
- InChI Key
- LGJMUZUPVCAVPU-LRTHRWAWSA-N
- Formula
- C29H52O
- SMILES
-
CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC
4(C)C3CCC12C)C(C)C - Molecular Weight1
- 416.72
- CAS
- 83-45-4
- Other Names
-
- (3«beta»,5«alpha»)-stigmastan-3-ol
- Stigmastanol
- 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° | 189.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -600.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.64 | kJ/mol | Joback Calculated Property |
| log10WS | -8.50 | Crippen Calculated Property | |
| logPoct/wat | 8.105 | Crippen Calculated Property | |
| McVol | 381.900 | ml/mol | McGowan Calculated Property |
| Pc | 927.81 | kPa | Joback Calculated Property |
| Inp | [3260.00; 3325.00] |
|
|
| Inp | 3260.00 | NIST | |
| Inp | 3325.00 | NIST | |
| Inp | 3317.00 | NIST | |
| Inp | 3290.00 | NIST | |
| Tboil | 983.89 | K | Joback Calculated Property |
| Tc | 1207.73 | K | Joback Calculated Property |
| Tfus | 517.41 | K | Joback Calculated Property |
| Vc | 1.440 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1490.57; 1705.32] | J/mol×K | [983.89; 1207.73] |
|
| Cp,gas | 1490.57 | J/mol×K | 983.89 | Joback Calculated Property |
| Cp,gas | 1523.85 | J/mol×K | 1021.20 | Joback Calculated Property |
| Cp,gas | 1557.68 | J/mol×K | 1058.50 | Joback Calculated Property |
| Cp,gas | 1592.42 | J/mol×K | 1095.81 | Joback Calculated Property |
| Cp,gas | 1628.38 | J/mol×K | 1133.11 | Joback Calculated Property |
| Cp,gas | 1665.90 | J/mol×K | 1170.42 | Joback Calculated Property |
| Cp,gas | 1705.32 | J/mol×K | 1207.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Stigmastan-3«beta»-ol.
Sources
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