- InChI
- InChI=1S/C27H46/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6,11,19-25H,7-10,12-18H2,1-5H3
- InChI Key
- SFBMPHLOQAKIBY-UHFFFAOYSA-N
- Formula
- C27H46
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4C=CCCC
4(C)C3CCC12C - Molecular Weight1
- 370.65
- CAS
- 16732-84-6
- 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).
- 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° | 349.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.50 | kJ/mol | Joback Calculated Property |
| log10WS | -8.38 | Crippen Calculated Property | |
| logPoct/wat | 8.274 | Crippen Calculated Property | |
| McVol | 343.550 | ml/mol | McGowan Calculated Property |
| Pc | 1025.97 | kPa | Joback Calculated Property |
| Tboil | 850.22 | K | Joback Calculated Property |
| Tc | 1073.17 | K | Joback Calculated Property |
| Tfus | 347.20 ± 2.00 | K | NIST |
| Vc | 1.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1221.97; 1406.84] | J/mol×K | [850.22; 1073.17] | 
|
| Cp,gas | 1221.97 | J/mol×K | 850.22 | Joback Calculated Property |
| Cp,gas | 1252.59 | J/mol×K | 887.38 | Joback Calculated Property |
| Cp,gas | 1282.85 | J/mol×K | 924.54 | Joback Calculated Property |
| Cp,gas | 1313.07 | J/mol×K | 961.69 | Joback Calculated Property |
| Cp,gas | 1343.59 | J/mol×K | 998.85 | Joback Calculated Property |
| Cp,gas | 1374.74 | J/mol×K | 1036.01 | Joback Calculated Property |
| Cp,gas | 1406.84 | J/mol×K | 1073.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-3-ene.
Sources
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