- InChI
- InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m0/s1
- InChI Key
- NYOXRYYXRWJDKP-XUJZTTFYSA-N
- Formula
- C27H44O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O
)CCC4(C)C3CCC12C - Molecular Weight1
- 384.64
- CAS
- 601-57-0
- Other Names
-
- 3-Oxocholest-4-ene
- Cholestenone
- «delta»4-Cholesten-3-one
- 4-Cholestenone
- 4-Cholesten-3-one
- (+)-4-Cholesten-3-one
- 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 | 0.6187 | Relay (... Calculated Property | |
| ΔfG° | 225.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.37 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.89 | eV | Relay (... Calculated Property |
| log10WS | -7.43 | Relay (... Calculated Property | |
| logPoct/wat | 7.597 | Crippen Calculated Property | |
| McVol | 345.120 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | 3245.00 | NIST | |
| Tboil | 687.54 | K | Relay (... Calculated Property |
| Tc | 963.38 | K | Relay (... Calculated Property |
| Tfus | 386.84 | K | Relay (... Calculated Property |
| Vc | 1.227 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1275.88; 1472.84] | J/mol×K | [927.69; 1161.44] | 
|
| Cp,gas | 1275.88 | J/mol×K | 927.69 | Joback Calculated Property |
| Cp,gas | 1307.11 | J/mol×K | 966.65 | Joback Calculated Property |
| Cp,gas | 1338.52 | J/mol×K | 1005.61 | Joback Calculated Property |
| Cp,gas | 1370.45 | J/mol×K | 1044.56 | Joback Calculated Property |
| Cp,gas | 1403.26 | J/mol×K | 1083.52 | Joback Calculated Property |
| Cp,gas | 1437.28 | J/mol×K | 1122.48 | Joback Calculated Property |
| Cp,gas | 1472.84 | J/mol×K | 1161.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-4-en-3-one.
Sources
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