- 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/h18-21,23-24,28H,6-17H2,1-5H3/t19?,20-,21-,23+,24?,26-,27+/m1/s1
- InChI Key
- QETLKNDKQOXZRP-TVBVRADDSA-N
- Formula
- C27H46O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3=C(CCC21C)
C1(C)CCC(O)CC1CC3 - Molecular Weight1
- 386.65
- 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° | 201.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -478.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.81 | kJ/mol | Joback Calculated Property |
| log10WS | -8.24 | Crippen Calculated Property | |
| logPoct/wat | 7.533 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1091.38 | kPa | Joback Calculated Property |
| Inp | 3145.00 | NIST | |
| Tboil | 957.03 | K | Joback Calculated Property |
| Tc | 1179.28 | K | Joback Calculated Property |
| Tfus | 544.15 | K | Joback Calculated Property |
| Vc | 1.323 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1315.11; 1513.49] | J/mol×K | [957.03; 1179.28] | 
|
| Cp,gas | 1315.11 | J/mol×K | 957.03 | Joback Calculated Property |
| Cp,gas | 1345.55 | J/mol×K | 994.07 | Joback Calculated Property |
| Cp,gas | 1376.61 | J/mol×K | 1031.11 | Joback Calculated Property |
| Cp,gas | 1408.61 | J/mol×K | 1068.16 | Joback Calculated Property |
| Cp,gas | 1441.88 | J/mol×K | 1105.20 | Joback Calculated Property |
| Cp,gas | 1476.73 | J/mol×K | 1142.24 | Joback Calculated Property |
| Cp,gas | 1513.49 | J/mol×K | 1179.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Cholest-8-3-«beta»-ol.
Sources
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