- InChI
- InChI=1S/C27H46O/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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21-,22+,23-,24+,25+,26+,27-/m0/s1
- InChI Key
- HVYWMOMLDIMFJA-JKGUEMJCSA-N
- Formula
- C27H46O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)
CCC4(C)C3CCC12C - Molecular Weight1
- 386.65
- CAS
- 474-77-1
- Other Names
-
- Cholest-5-en-3-ol (3 alpha)
- Epicholesterol
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6905 | Relay (... Calculated Property | |
| ΔfG° | 203.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -488.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.51 | eV | Relay (... Calculated Property |
| log10WS | -7.21 | Relay (... Calculated Property | |
| logPoct/wat | 7.389 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1078.51 | kPa | Joback Calculated Property |
| Inp | 3055.00 | NIST | |
| Tboil | 684.97 | K | Relay (... Calculated Property |
| Tc | 951.39 | K | Relay (... Calculated Property |
| Tfus | 414.86 | K | Relay (... Calculated Property |
| Vc | 1.253 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1316.89; 1511.34] | J/mol×K | [947.38; 1168.23] | 
|
| Cp,gas | 1316.89 | J/mol×K | 947.38 | Joback Calculated Property |
| Cp,gas | 1347.08 | J/mol×K | 984.19 | Joback Calculated Property |
| Cp,gas | 1377.74 | J/mol×K | 1021.00 | Joback Calculated Property |
| Cp,gas | 1409.17 | J/mol×K | 1057.80 | Joback Calculated Property |
| Cp,gas | 1441.71 | J/mol×K | 1094.61 | Joback Calculated Property |
| Cp,gas | 1475.66 | J/mol×K | 1131.42 | Joback Calculated Property |
| Cp,gas | 1511.34 | J/mol×K | 1168.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-5-en-3-ol, (3«alpha»)-.
Sources
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