- InChI
- InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20?,23-,24?,25?,26?,27?,28-,29+/m1/s1
- InChI Key
- XUGISPSHIFXEHZ-CEEZXXFPSA-N
- Formula
- C29H48O2
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 428.69
- 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° | 123.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -621.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.76 | kJ/mol | Joback Calculated Property |
| log10WS | -8.44 | Crippen Calculated Property | |
| logPoct/wat | 7.960 | Crippen Calculated Property | |
| McVol | 379.170 | ml/mol | McGowan Calculated Property |
| Pc | 927.81 | kPa | Joback Calculated Property |
| Inp | 3142.00 | NIST | |
| Tboil | 977.25 | K | Joback Calculated Property |
| Tc | 1206.29 | K | Joback Calculated Property |
| Tfus | 561.27 | K | Joback Calculated Property |
| Vc | 1.438 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1432.94; 1641.50] | J/mol×K | [977.25; 1206.29] | 
|
| Cp,gas | 1432.94 | J/mol×K | 977.25 | Joback Calculated Property |
| Cp,gas | 1465.33 | J/mol×K | 1015.42 | Joback Calculated Property |
| Cp,gas | 1498.23 | J/mol×K | 1053.60 | Joback Calculated Property |
| Cp,gas | 1531.96 | J/mol×K | 1091.77 | Joback Calculated Property |
| Cp,gas | 1566.85 | J/mol×K | 1129.94 | Joback Calculated Property |
| Cp,gas | 1603.25 | J/mol×K | 1168.11 | Joback Calculated Property |
| Cp,gas | 1641.50 | J/mol×K | 1206.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5A-Cholesten-3B-ol, acetate.
Sources
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