- InChI
- InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h11,18-22,24-26,29H,7-10,12-17H2,1-6H3/t19?,20-,21?,22?,24?,25?,26+,27?,28?/m0/s1
- InChI Key
- PZELUKPNJYWGOY-PAZSGVRGSA-N
- Formula
- C28H48O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4C(C)C
(O)CCC4(C)C3CCC12C - Molecular Weight1
- 400.68
- 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 | 0.6919 | Relay (... Calculated Property | |
| ΔfG° | 204.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -506.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 39.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.53 | kJ/mol | Relay (... Calculated Property |
| IE | 8.50 | eV | Relay (... Calculated Property |
| log10WS | -7.40 | Relay (... Calculated Property | |
| logPoct/wat | 7.635 | Crippen Calculated Property | |
| McVol | 363.510 | ml/mol | McGowan Calculated Property |
| Pc | 992.63 | kPa | Joback Calculated Property |
| Inp | 3150.00 | NIST | |
| Tboil | 682.92 | K | Relay (... Calculated Property |
| Tc | 957.56 | K | Relay (... Calculated Property |
| Tfus | 428.73 | K | Relay (... Calculated Property |
| Vc | 1.302 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1389.24; 1591.25] | J/mol×K | [965.59; 1187.42] | 
|
| Cp,gas | 1389.24 | J/mol×K | 965.59 | Joback Calculated Property |
| Cp,gas | 1420.61 | J/mol×K | 1002.56 | Joback Calculated Property |
| Cp,gas | 1452.48 | J/mol×K | 1039.53 | Joback Calculated Property |
| Cp,gas | 1485.16 | J/mol×K | 1076.51 | Joback Calculated Property |
| Cp,gas | 1518.98 | J/mol×K | 1113.48 | Joback Calculated Property |
| Cp,gas | 1554.23 | J/mol×K | 1150.45 | Joback Calculated Property |
| Cp,gas | 1591.25 | J/mol×K | 1187.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-«beta»-Methylcholest-5-en-3-«beta»-ol.
Sources
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