- 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/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20?,21-,23?,24?,25?,27-,28?,29?/m1/s1
- InChI Key
- QLDNWJOJCDIMKK-JWPWOQFDSA-N
- Formula
- C29H48O
- SMILES
-
C=C(CCC(C)C1CCC2C3=C(CCC21C)C1
(C)CCC(O)C(C)C1CC3)C(C)C - 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 | 0.6706 | Relay (1.0) Calculated Property | |
| ΔfG° | 289.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -431.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.945 | Crippen Calculated Property | |
| McVol | 373.300 | ml/mol | McGowan Calculated Property |
| Pc | 973.52 | kPa | Joback Calculated Property |
| Inp | 3305.00 | NIST | |
| Tboil | 699.67 | K | Relay (1.0) Calculated Property |
| Tc | 967.09 | K | Relay (1.0) Calculated Property |
| Tfus | 419.21 | K | Relay (1.0) Calculated Property |
| Vc | 1.324 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1426.95; 1644.83] | J/mol×K | [994.68; 1221.84] | 
|
| Cp,gas | 1426.95 | J/mol×K | 994.68 | Joback Calculated Property |
| Cp,gas | 1459.84 | J/mol×K | 1032.54 | Joback Calculated Property |
| Cp,gas | 1493.64 | J/mol×K | 1070.40 | Joback Calculated Property |
| Cp,gas | 1528.69 | J/mol×K | 1108.26 | Joback Calculated Property |
| Cp,gas | 1565.33 | J/mol×K | 1146.12 | Joback Calculated Property |
| Cp,gas | 1603.93 | J/mol×K | 1183.98 | Joback Calculated Property |
| Cp,gas | 1644.83 | J/mol×K | 1221.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-«alpha»,24-Dimethylcholest-8,24(28)-dien-3-«beta»-ol.
Sources
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