- InChI
- InChI=1S/C28H50/c1-19(2)9-7-10-20(3)24-14-15-25-22-12-13-23-21(4)11-8-17-27(23,5)26(22)16-18-28(24,25)6/h19-26H,7-18H2,1-6H3/t20?,21-,22?,23+,24?,25?,26?,27?,28?/m0/s1
- InChI Key
- AJHKOHJONNVXCK-ZDUMRXQFSA-N
- Formula
- C28H50
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4C(C)CC
CC4(C)C3CCC12C - Molecular Weight1
- 386.70
- Other Names
-
- 4«alpha»-methylcholestane
- 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 | 0.5803 | Relay (... Calculated Property | |
| ΔfG° | 320.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.22 | kJ/mol | Relay (... Calculated Property |
| IE | 8.94 | eV | Relay (... Calculated Property |
| log10WS | -8.90 | Relay (... Calculated Property | |
| logPoct/wat | 8.744 | Crippen Calculated Property | |
| McVol | 361.940 | ml/mol | McGowan Calculated Property |
| Pc | 925.55 | kPa | Joback Calculated Property |
| Inp | [2912.00; 2912.00] |
|
|
| Inp | 2912.00 | NIST | |
| Inp | 2912.00 | NIST | |
| Tboil | 674.15 | K | Relay (... Calculated Property |
| Tc | 928.86 | K | Relay (... Calculated Property |
| Tfus | 351.00 | K | Relay (... Calculated Property |
| Vc | 1.317 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1320.91; 1513.54] | J/mol×K | [869.27; 1089.19] |
|
| Cp,gas | 1320.91 | J/mol×K | 869.27 | Joback Calculated Property |
| Cp,gas | 1352.91 | J/mol×K | 905.92 | Joback Calculated Property |
| Cp,gas | 1384.54 | J/mol×K | 942.58 | Joback Calculated Property |
| Cp,gas | 1416.11 | J/mol×K | 979.23 | Joback Calculated Property |
| Cp,gas | 1447.93 | J/mol×K | 1015.88 | Joback Calculated Property |
| Cp,gas | 1480.30 | J/mol×K | 1052.53 | Joback Calculated Property |
| Cp,gas | 1513.54 | J/mol×K | 1089.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-«alpha»-Methyl-5-«alpha»-cholestane.
Sources
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