- InChI
- InChI=1S/C29H50O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18-21,23-25,27,30H,8-17H2,1-7H3/t19?,20?,21-,23?,24?,25?,27-,28?,29?/m1/s1
- InChI Key
- KLLFGBWPBOBVAC-OSRLTYJOSA-N
- Formula
- C29H50O
- SMILES
-
CC(C)C(C)CCC(C)C1CCC2C3=C(CCC2
1C)C1(C)CCC(O)C(C)C1CC3 - Molecular Weight1
- 414.71
- 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 | 0.7053 | Relay (... Calculated Property | |
| ΔfG° | 208.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -509.83 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.10 | eV | Relay (... Calculated Property |
| log10WS | -7.14 | Relay (... Calculated Property | |
| logPoct/wat | 8.025 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 950.25 | kPa | Joback Calculated Property |
| Inp | [3295.00; 3295.00] |
|
|
| Inp | 3295.00 | NIST | |
| Inp | 3295.00 | NIST | |
| Tboil | 692.04 | K | Relay (... Calculated Property |
| Tc | 971.55 | K | Relay (... Calculated Property |
| Tfus | 424.90 | K | Relay (... Calculated Property |
| Vc | 1.347 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1458.83; 1677.41] | J/mol×K | [997.68; 1224.44] |
|
| Cp,gas | 1458.83 | J/mol×K | 997.68 | Joback Calculated Property |
| Cp,gas | 1492.08 | J/mol×K | 1035.47 | Joback Calculated Property |
| Cp,gas | 1526.16 | J/mol×K | 1073.27 | Joback Calculated Property |
| Cp,gas | 1561.38 | J/mol×K | 1111.06 | Joback Calculated Property |
| Cp,gas | 1598.10 | J/mol×K | 1148.85 | Joback Calculated Property |
| Cp,gas | 1636.66 | J/mol×K | 1186.64 | Joback Calculated Property |
| Cp,gas | 1677.41 | J/mol×K | 1224.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-«alpha»,24-Dimethylcholest-8-en-3-«beta»-ol.
Sources
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