- InChI
- InChI=1S/C28H47NO/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(29-30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,23-26H,7-9,11-18H2,1-6H3/b29-22+/t20-,23?,24-,25?,26+,27+,28-/m0/s1
- InChI Key
- QQQSRCSMTITNCO-BZYDGMDBSA-N
- Formula
- C28H47NO
- SMILES
-
CON=C1CCC2(C)C(=CCC3C2CCC2(C)C
(C(C)CCCC(C)C)CCC32)C1 - Molecular Weight1
- 413.68
- ΔfH°gas : Enthalpy of formation 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -426.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.25 | kJ/mol | Joback Calculated Property |
| log10WS | -8.28 | Crippen Calculated Property | |
| logPoct/wat | 8.030 | Crippen Calculated Property | |
| McVol | 369.190 | ml/mol | McGowan Calculated Property |
| Pc | 893.73 | kPa | Joback Calculated Property |
| Inp | 3096.00 | NIST | |
| Tboil | 984.33 | K | Joback Calculated Property |
| Tc | 1217.74 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Cholesten-3-one, MO.
Sources
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