- InChI
- InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21-,22+,23-,24+,25+,26+,27-/m0/s1
- InChI Key
- QYIXCDOBOSTCEI-FKAJXBDFSA-N
- Formula
- C27H48O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)C
CC4(C)C3CCC12C - Molecular Weight1
- 388.67
- CAS
- 516-92-7
- Other Names
-
- 5«beta»-Cholestan-3«alpha»-ol
- «alpha»-Coprostanol
- epi-Coprostanol
- epi-Coprosterol
- Epikoprosterin
- Coprostan-3«alpha»-ol
- (3«alpha»,5«beta»)-Cholestan-3-ol
- NSC 18182
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | 175.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -553.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.57 | kJ/mol | Joback Calculated Property |
| log10WS | -7.90 | Crippen Calculated Property | |
| logPoct/wat | 7.469 | Crippen Calculated Property | |
| McVol | 353.720 | ml/mol | McGowan Calculated Property |
| Pc | 1041.25 | kPa | Joback Calculated Property |
| Inp | [3203.00; 3285.50] |
|
|
| Inp | 3285.50 | NIST | |
| Inp | 3203.00 | NIST | |
| Tboil | 938.57 | K | Joback Calculated Property |
| Tc | 1157.43 | K | Joback Calculated Property |
| Tfus | 509.87 | K | Joback Calculated Property |
| Vc | 1.335 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1349.43; 1543.29] | J/mol×K | [938.57; 1157.43] |
|
| Cp,gas | 1349.43 | J/mol×K | 938.57 | Joback Calculated Property |
| Cp,gas | 1380.08 | J/mol×K | 975.05 | Joback Calculated Property |
| Cp,gas | 1410.98 | J/mol×K | 1011.52 | Joback Calculated Property |
| Cp,gas | 1442.45 | J/mol×K | 1048.00 | Joback Calculated Property |
| Cp,gas | 1474.79 | J/mol×K | 1084.48 | Joback Calculated Property |
| Cp,gas | 1508.30 | J/mol×K | 1120.95 | Joback Calculated Property |
| Cp,gas | 1543.29 | J/mol×K | 1157.43 | Joback Calculated Property |
| ΔfusH | 15.80 | kJ/mol | 385.80 | NIST |
Similar Compounds
Find more compounds similar to Cholestan-3-ol, (3«alpha»,5«beta»)-.
Sources
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