- 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/h12,18-22,24,29H,7-11,13-17H2,1-6H3/t19?,20?,21-,22-,24+,27-,28+/m1/s1
- InChI Key
- ZWTGNSZOWCZDDE-AUYUSWKRSA-N
- Formula
- C28H46O
- SMILES
-
CC(C)C(C)CCC(C)C1CC=C2C3=C(CCC
21C)C1(C)CCC(O)CC1CC3 - Molecular Weight1
- 398.66
- 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 | 0.7124 | Relay (... Calculated Property | |
| ΔfG° | 235.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 33.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.64 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -6.74 | Relay (... Calculated Property | |
| logPoct/wat | 7.699 | Crippen Calculated Property | |
| McVol | 359.210 | ml/mol | McGowan Calculated Property |
| Pc | 1067.27 | kPa | Joback Calculated Property |
| Inp | 3225.00 | NIST | |
| Tboil | 695.37 | K | Relay (... Calculated Property |
| Tc | 963.71 | K | Relay (... Calculated Property |
| Tfus | 429.41 | K | Relay (... Calculated Property |
| Vc | 1.290 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1351.87; 1564.36] | J/mol×K | [988.28; 1215.41] | 
|
| Cp,gas | 1351.87 | J/mol×K | 988.28 | Joback Calculated Property |
| Cp,gas | 1383.59 | J/mol×K | 1026.14 | Joback Calculated Property |
| Cp,gas | 1416.32 | J/mol×K | 1063.99 | Joback Calculated Property |
| Cp,gas | 1450.42 | J/mol×K | 1101.85 | Joback Calculated Property |
| Cp,gas | 1486.22 | J/mol×K | 1139.70 | Joback Calculated Property |
| Cp,gas | 1524.08 | J/mol×K | 1177.56 | Joback Calculated Property |
| Cp,gas | 1564.36 | J/mol×K | 1215.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 24-Methyl-5-«alpha»-cholesta-8,14-dien-3-«beta»-ol.
Sources
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