- InChI
- InChI=1S/C25H42O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h17-22H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,24+,25-/m0/s1
- InChI Key
- YHTRVWPOAJKWBV-WMBUEMCFSA-N
- Formula
- C25H42O2
- SMILES
-
COC(=O)CCC(C)C1CCC2C3CCC4CCCCC
4(C)C3CCC12C - Molecular Weight1
- 374.60
- 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° | 71.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.30 | kJ/mol | Joback Calculated Property |
| log10WS | -6.80 | Crippen Calculated Property | |
| logPoct/wat | 6.625 | Crippen Calculated Property | |
| McVol | 327.110 | ml/mol | McGowan Calculated Property |
| Pc | 1166.43 | kPa | Joback Calculated Property |
| Inp | 2941.00 | NIST | |
| Tboil | 882.03 | K | Joback Calculated Property |
| Tc | 1109.48 | K | Joback Calculated Property |
| Tfus | 517.91 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.40; 1368.73] | J/mol×K | [882.03; 1109.48] | 
|
| Cp,gas | 1188.40 | J/mol×K | 882.03 | Joback Calculated Property |
| Cp,gas | 1217.75 | J/mol×K | 919.94 | Joback Calculated Property |
| Cp,gas | 1246.95 | J/mol×K | 957.85 | Joback Calculated Property |
| Cp,gas | 1276.33 | J/mol×K | 995.76 | Joback Calculated Property |
| Cp,gas | 1306.21 | J/mol×K | 1033.67 | Joback Calculated Property |
| Cp,gas | 1336.90 | J/mol×K | 1071.58 | Joback Calculated Property |
| Cp,gas | 1368.73 | J/mol×K | 1109.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5«alpha»-Cholanic acid, methyl ester.
Sources
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