- InChI
- InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,14,18-22,24-25,29H,7-9,11-13,15-17H2,1-6H3/t19?,20?,21?,22-,24?,25?,27?,28?/m1/s1
- InChI Key
- AHKFWRYGGJQDPF-CSWQRFOJSA-N
- Formula
- C28H46O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3=CCC4CC
(O)CCC4(C)C3=CCC21C - Molecular Weight1
- 398.66
- 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° | 237.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.94 | kJ/mol | Joback Calculated Property |
| log10WS | -8.27 | Crippen Calculated Property | |
| logPoct/wat | 7.555 | Crippen Calculated Property | |
| McVol | 359.210 | ml/mol | McGowan Calculated Property |
| Pc | 1054.83 | kPa | Joback Calculated Property |
| Inp | 3245.00 | NIST | |
| Tboil | 978.63 | K | Joback Calculated Property |
| Tc | 1204.27 | K | Joback Calculated Property |
| Tfus | 541.18 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1353.59; 1560.97] | J/mol×K | [978.63; 1204.27] | 
|
| Cp,gas | 1353.59 | J/mol×K | 978.63 | Joback Calculated Property |
| Cp,gas | 1384.90 | J/mol×K | 1016.24 | Joback Calculated Property |
| Cp,gas | 1417.06 | J/mol×K | 1053.84 | Joback Calculated Property |
| Cp,gas | 1450.40 | J/mol×K | 1091.45 | Joback Calculated Property |
| Cp,gas | 1485.27 | J/mol×K | 1129.06 | Joback Calculated Property |
| Cp,gas | 1522.01 | J/mol×K | 1166.66 | Joback Calculated Property |
| Cp,gas | 1560.97 | J/mol×K | 1204.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methylcholesta-7,9-dien-3-«beta»-ol.
Sources
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