- InChI
- InChI=1S/C30H50O2/c1-7-28(31)32-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m0/s1
- InChI Key
- CCORPVHYPHHRKB-YRQGZSEKSA-N
- Formula
- C30H50O2
- SMILES
-
CCC(=O)OC1CCC2(C)C(=CCC3C2CCC2
(C)C(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 442.72
- CAS
- 633-31-8
- Other Names
-
- Cholesteryl propionate
- Cholesterol n-propionate
- Cholesterol, propionate
- Propionyloxy-3«beta» cholestene-5
- 3«beta»-Propanoyloxycholest-5-ene
- cholest-5-en-3«beta»-yl propionate
- 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° | 131.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.99 | kJ/mol | Joback Calculated Property |
| log10WS | -8.85 | Crippen Calculated Property | |
| logPoct/wat | 8.350 | Crippen Calculated Property | |
| McVol | 393.260 | ml/mol | McGowan Calculated Property |
| Pc | 875.84 | kPa | Joback Calculated Property |
| Tboil | 1000.13 | K | Joback Calculated Property |
| Tc | 1230.38 | K | Joback Calculated Property |
| Tfus | 572.54 | K | Joback Calculated Property |
| Vc | 1.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1503.91; 1722.53] | J/mol×K | [1000.13; 1230.38] | 
|
| Cp,gas | 1503.91 | J/mol×K | 1000.13 | Joback Calculated Property |
| Cp,gas | 1537.55 | J/mol×K | 1038.51 | Joback Calculated Property |
| Cp,gas | 1571.85 | J/mol×K | 1076.88 | Joback Calculated Property |
| Cp,gas | 1607.15 | J/mol×K | 1115.26 | Joback Calculated Property |
| Cp,gas | 1643.80 | J/mol×K | 1153.63 | Joback Calculated Property |
| Cp,gas | 1682.15 | J/mol×K | 1192.01 | Joback Calculated Property |
| Cp,gas | 1722.53 | J/mol×K | 1230.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-5-en-3-ol (3«beta»)-, propanoate.
Sources
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