- InChI
- InChI=1S/C29H50O/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/h8-9,19-27,30H,7,10-18H2,1-6H3/b9-8+/t20-,21-,22+,23+,24?,25-,26?,27?,28+,29-/m0/s1
- InChI Key
- CSVWWLUMXNHWSU-LMDYIVHNSA-N
- Formula
- C29H50O
- SMILES
-
CCC(C=CC(C)C1CCC2C3CCC4CC(O)CC
C4(C)C3CCC12C)C(C)C - Molecular Weight1
- 414.71
- 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° | 270.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.59 | kJ/mol | Joback Calculated Property |
| log10WS | -8.35 | Crippen Calculated Property | |
| logPoct/wat | 7.881 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 957.91 | kPa | Joback Calculated Property |
| Inp | 3253.00 | NIST | |
| Tboil | 988.05 | K | Joback Calculated Property |
| Tc | 1214.71 | K | Joback Calculated Property |
| Tfus | 512.33 | K | Joback Calculated Property |
| Vc | 1.421 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1463.75; 1684.35] | J/mol×K | [988.05; 1214.71] | 
|
| Cp,gas | 1463.75 | J/mol×K | 988.05 | Joback Calculated Property |
| Cp,gas | 1497.33 | J/mol×K | 1025.83 | Joback Calculated Property |
| Cp,gas | 1531.69 | J/mol×K | 1063.60 | Joback Calculated Property |
| Cp,gas | 1567.22 | J/mol×K | 1101.38 | Joback Calculated Property |
| Cp,gas | 1604.26 | J/mol×K | 1139.15 | Joback Calculated Property |
| Cp,gas | 1643.19 | J/mol×K | 1176.93 | Joback Calculated Property |
| Cp,gas | 1684.35 | J/mol×K | 1214.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Stigmast-22-en-3«beta»-ol.
Sources
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