- InChI
- InChI=1S/C29H50O/c1-7-21(16-19(2)3)17-20(4)25-10-11-26-24-9-8-22-18-23(30)12-14-28(22,5)27(24)13-15-29(25,26)6/h8,19-21,23-27,30H,7,9-18H2,1-6H3/t20-,21+,23+,24?,25-,26?,27?,28+,29-/m0/s1
- InChI Key
- WVNIISADYSWCOG-PXBNLXOLSA-N
- Formula
- C29H50O
- SMILES
-
CCC(CC(C)C)CC(C)C1CCC2C3CC=C4C
C(O)CCC4(C)C3CCC12C - Molecular Weight1
- 414.71
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 217.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -533.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.59 | Crippen Calculated Property | |
| logPoct/wat | 8.025 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 959.10 | kPa | Joback Calculated Property |
| Inp | [2999.00; 2999.00] |
|
|
| Inp | 2999.00 | NIST | |
| Inp | 2999.00 | NIST | |
| Tboil | 992.70 | K | Joback Calculated Property |
| Tc | 1218.50 | K | Joback Calculated Property |
| Tfus | 534.93 | K | Joback Calculated Property |
| Vc | 1.427 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1457.53; 1674.54] | J/mol×K | [992.70; 1218.50] |
|
| Cp,gas | 1457.53 | J/mol×K | 992.70 | Joback Calculated Property |
| Cp,gas | 1490.57 | J/mol×K | 1030.33 | Joback Calculated Property |
| Cp,gas | 1524.41 | J/mol×K | 1067.97 | Joback Calculated Property |
| Cp,gas | 1559.38 | J/mol×K | 1105.60 | Joback Calculated Property |
| Cp,gas | 1595.82 | J/mol×K | 1143.23 | Joback Calculated Property |
| Cp,gas | 1634.10 | J/mol×K | 1180.87 | Joback Calculated Property |
| Cp,gas | 1674.54 | J/mol×K | 1218.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (23S)-Ethylcholest-5-en-3-«beta»-ol.
Sources
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