- InChI
- InChI=1S/C29H48O/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/h13,18-21,23-24,27,30H,8-12,14-17H2,1-7H3/t19?,20?,21-,23?,24?,27-,28?,29?/m1/s1
- InChI Key
- YKDJEAIZFMBVFZ-CYHCYTOHSA-N
- Formula
- C29H48O
- SMILES
-
CC(C)C(C)CCC(C)C1CC=C2C3=C(CCC
21C)C1(C)CCC(O)C(C)C1CC3 - Molecular Weight1
- 412.69
- 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 | 0.7145 | Relay (1.0) Calculated Property | |
| ΔfG° | 236.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.945 | Crippen Calculated Property | |
| McVol | 373.300 | ml/mol | McGowan Calculated Property |
| Pc | 982.69 | kPa | Joback Calculated Property |
| Inp | 3280.00 | NIST | |
| Tboil | 689.34 | K | Relay (1.0) Calculated Property |
| Tc | 965.19 | K | Relay (1.0) Calculated Property |
| Tfus | 435.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.335 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1425.41; 1646.97] | J/mol×K | [1006.49; 1235.21] | 
|
| Cp,gas | 1425.41 | J/mol×K | 1006.49 | Joback Calculated Property |
| Cp,gas | 1458.54 | J/mol×K | 1044.61 | Joback Calculated Property |
| Cp,gas | 1492.71 | J/mol×K | 1082.73 | Joback Calculated Property |
| Cp,gas | 1528.29 | J/mol×K | 1120.85 | Joback Calculated Property |
| Cp,gas | 1565.62 | J/mol×K | 1158.97 | Joback Calculated Property |
| Cp,gas | 1605.07 | J/mol×K | 1197.09 | Joback Calculated Property |
| Cp,gas | 1646.97 | J/mol×K | 1235.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-«alpha»,24-Dimethylcholest-8,14-dien-3-«beta»-ol.
Sources
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