- InChI
- InChI=1S/C31H52O3/c1-7-19-33-29(32)34-24-15-17-30(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)31(27,6)18-16-28(25)30/h11,21-22,24-28H,7-10,12-20H2,1-6H3
- InChI Key
- HDCRAXGDAFODLS-UHFFFAOYSA-N
- Formula
- C31H52O3
- SMILES
-
CCCOC(=O)OC1CCC2(C)C(=CCC3C2CC
C2(C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 472.74
- CAS
- 38577-26-3
- 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).
- 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° | 35.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.63 | kJ/mol | Joback Calculated Property |
| log10WS | -9.34 | Crippen Calculated Property | |
| logPoct/wat | 8.960 | Crippen Calculated Property | |
| McVol | 413.220 | ml/mol | McGowan Calculated Property |
| Pc | 820.07 | kPa | Joback Calculated Property |
| Tboil | 1045.43 | K | Joback Calculated Property |
| Tc | 1281.05 | K | Joback Calculated Property |
| Tfus | 606.04 | K | Joback Calculated Property |
| Vc | 1.569 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1614.36; 1847.58] | J/mol×K | [1045.43; 1281.05] | 
|
| Cp,gas | 1614.36 | J/mol×K | 1045.43 | Joback Calculated Property |
| Cp,gas | 1649.88 | J/mol×K | 1084.70 | Joback Calculated Property |
| Cp,gas | 1686.27 | J/mol×K | 1123.97 | Joback Calculated Property |
| Cp,gas | 1723.88 | J/mol×K | 1163.24 | Joback Calculated Property |
| Cp,gas | 1763.06 | J/mol×K | 1202.51 | Joback Calculated Property |
| Cp,gas | 1804.18 | J/mol×K | 1241.78 | Joback Calculated Property |
| Cp,gas | 1847.58 | J/mol×K | 1281.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesterol, propyl carbonate.
Sources
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