- InChI
- InChI=1S/C27H44O/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/h6,8,10,18-21,23-25,28H,7,9,11-17H2,1-5H3/b8-6+/t19?,20-,21-,23?,24?,25?,26?,27?/m1/s1
- InChI Key
- KJOAIBPHMYWAOX-ODMXCDLMSA-N
- Formula
- C27H44O
- SMILES
-
CC(C)CC=CC(C)C1CCC2C3=CCC4CC(O
)CCC4(C)C3CCC21C - Molecular Weight1
- 384.64
- 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° | 283.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.79 | kJ/mol | Joback Calculated Property |
| log10WS | -7.85 | Crippen Calculated Property | |
| logPoct/wat | 7.165 | Crippen Calculated Property | |
| McVol | 345.120 | ml/mol | McGowan Calculated Property |
| Pc | 1116.31 | kPa | Joback Calculated Property |
| Inp | [3130.00; 3130.00] |
|
|
| Inp | 3130.00 | NIST | |
| Inp | 3130.00 | NIST | |
| Tboil | 951.54 | K | Joback Calculated Property |
| Tc | 1176.23 | K | Joback Calculated Property |
| Tfus | 522.31 | K | Joback Calculated Property |
| Vc | 1.302 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1290.10; 1489.90] | J/mol×K | [951.54; 1176.23] |
|
| Cp,gas | 1290.10 | J/mol×K | 951.54 | Joback Calculated Property |
| Cp,gas | 1320.53 | J/mol×K | 988.99 | Joback Calculated Property |
| Cp,gas | 1351.64 | J/mol×K | 1026.44 | Joback Calculated Property |
| Cp,gas | 1383.79 | J/mol×K | 1063.89 | Joback Calculated Property |
| Cp,gas | 1417.31 | J/mol×K | 1101.33 | Joback Calculated Property |
| Cp,gas | 1452.57 | J/mol×K | 1138.78 | Joback Calculated Property |
| Cp,gas | 1489.90 | J/mol×K | 1176.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Cholesta-7,22-dien-3-«beta»-ol.
Sources
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