- InChI
- InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-17,19-22H,5-15H2,1-4H3
- InChI Key
- SRLWMUQGWKOYLX-UHFFFAOYSA-N
- Formula
- C25H40O3
- SMILES
-
COC(=O)CCC(C)C1CCC2C3CCC4CC(=O
)CCC4(C)C3CCC12C - Molecular Weight1
- 388.58
- CAS
- 1173-32-6
- Other Names
-
- Methyl 5-«beta»-cholan-3-one-24-oate
- 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° | -50.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.54 | kJ/mol | Joback Calculated Property |
| log10WS | -6.08 | Crippen Calculated Property | |
| logPoct/wat | 5.804 | Crippen Calculated Property | |
| McVol | 328.680 | ml/mol | McGowan Calculated Property |
| Pc | 1194.82 | kPa | Joback Calculated Property |
| Inp | 3124.00 | NIST | |
| Tboil | 949.85 | K | Joback Calculated Property |
| Tc | 1187.18 | K | Joback Calculated Property |
| Tfus | 586.13 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1240.66; 1430.34] | J/mol×K | [949.85; 1187.18] | 
|
| Cp,gas | 1240.66 | J/mol×K | 949.85 | Joback Calculated Property |
| Cp,gas | 1270.70 | J/mol×K | 989.41 | Joback Calculated Property |
| Cp,gas | 1300.95 | J/mol×K | 1028.96 | Joback Calculated Property |
| Cp,gas | 1331.71 | J/mol×K | 1068.52 | Joback Calculated Property |
| Cp,gas | 1363.32 | J/mol×K | 1108.07 | Joback Calculated Property |
| Cp,gas | 1396.09 | J/mol×K | 1147.63 | Joback Calculated Property |
| Cp,gas | 1430.34 | J/mol×K | 1187.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholan-24-oic acid, 3-oxo-, methyl ester, (5«beta»)-.
Sources
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