- InChI
- InChI=1S/C31H56/c1-9-24(21(2)3)13-12-23(5)26-16-19-31(8)28-15-14-25-22(4)11-10-18-29(25,6)27(28)17-20-30(26,31)7/h21-28H,9-20H2,1-8H3/t22?,23-,24?,25+,26-,27?,28?,29+,30-,31?/m0/s1
- InChI Key
- BNLOBOUNNLHEFC-DTOAWKGKSA-N
- Formula
- C31H56
- SMILES
-
CCC(CCC(C)C1CCC2(C)C3CCC4C(C)C
CCC4(C)C3CCC12C)C(C)C - Molecular Weight1
- 428.78
- 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° | 338.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -474.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.26 | kJ/mol | Joback Calculated Property |
| log10WS | -9.72 | Crippen Calculated Property | |
| logPoct/wat | 9.770 | Crippen Calculated Property | |
| McVol | 404.210 | ml/mol | McGowan Calculated Property |
| Pc | 806.16 | kPa | Joback Calculated Property |
| Inp | 3232.00 | NIST | |
| Tboil | 937.71 | K | Joback Calculated Property |
| Tc | 1162.31 | K | Joback Calculated Property |
| Tfus | 503.03 | K | Joback Calculated Property |
| Vc | 1.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1532.59; 1785.61] | J/mol×K | [937.71; 1162.31] | 
|
| Cp,gas | 1532.59 | J/mol×K | 937.71 | Joback Calculated Property |
| Cp,gas | 1570.82 | J/mol×K | 975.14 | Joback Calculated Property |
| Cp,gas | 1610.05 | J/mol×K | 1012.58 | Joback Calculated Property |
| Cp,gas | 1650.70 | J/mol×K | 1050.01 | Joback Calculated Property |
| Cp,gas | 1693.23 | J/mol×K | 1087.44 | Joback Calculated Property |
| Cp,gas | 1738.05 | J/mol×K | 1124.87 | Joback Calculated Property |
| Cp,gas | 1785.61 | J/mol×K | 1162.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,14-dimethyl,24-ethyl-cholestane.
Sources
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