- InChI
- InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20?,21-,22-,23+,24-,25?,26-,27+/m0/s1
- InChI Key
- XIIAYQZJNBULGD-UJBDRAHFSA-N
- Formula
- C27H48
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4
(C)C3CCC12C - Molecular Weight1
- 372.67
- CAS
- 14982-53-7
- Other Names
-
- [8R-[8«alpha»,9«beta»,10«alpha»,13«alpha»,14«beta»,17«alpha»(R)]]-17-(1,5-dimethylhexyl)hexadecahydro-10,13-dimethyl-1H-cyclopenta[a]phenanthrene
- 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).
- 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 | 0.5669 | Relay (... Calculated Property | |
| ΔfG° | 319.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -392.39 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.79 | kJ/mol | Relay (... Calculated Property |
| IE | 8.97 | eV | Relay (... Calculated Property |
| log10WS | -8.70 | Relay (... Calculated Property | |
| logPoct/wat | 8.498 | Crippen Calculated Property | |
| McVol | 347.850 | ml/mol | McGowan Calculated Property |
| Pc | 1002.71 | kPa | Joback Calculated Property |
| Tboil | 674.36 | K | Relay (... Calculated Property |
| Tc | 926.58 | K | Relay (... Calculated Property |
| Tfus | 353.00 ± 4.00 | K | NIST |
| Vc | 1.267 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1250.75; 1438.92] | J/mol×K | [851.06; 1072.72] | 
|
| Cp,gas | 1250.75 | J/mol×K | 851.06 | Joback Calculated Property |
| Cp,gas | 1282.08 | J/mol×K | 888.00 | Joback Calculated Property |
| Cp,gas | 1312.99 | J/mol×K | 924.95 | Joback Calculated Property |
| Cp,gas | 1343.81 | J/mol×K | 961.89 | Joback Calculated Property |
| Cp,gas | 1374.86 | J/mol×K | 998.83 | Joback Calculated Property |
| Cp,gas | 1406.45 | J/mol×K | 1035.78 | Joback Calculated Property |
| Cp,gas | 1438.92 | J/mol×K | 1072.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cholestane.
Sources
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