- InChI
- InChI=1S/C27H46O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-19,21-24,29H,6-17H2,1-5H3
- InChI Key
- OPSNLRNZVIABPI-UHFFFAOYSA-N
- Formula
- C27H46O2
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4(O)CC(
=O)CCC4(C)C3CCC12C - Molecular Weight1
- 402.65
- CAS
- 19043-70-0
- 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).
- 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 | 0.7484 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.792 | Crippen Calculated Property | |
| McVol | 355.290 | ml/mol | McGowan Calculated Property |
| Pc | 1121.55 | kPa | Joback Calculated Property |
| Tboil | 686.78 | K | Relay (1.0) Calculated Property |
| Tc | 986.61 | K | Relay (1.0) Calculated Property |
| Tfus | 423.65 | K | Relay (1.0) Calculated Property |
| Vc | 1.278 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1411.78; 1681.16] | J/mol×K | [1011.30; 1245.29] | 
|
| Cp,gas | 1411.78 | J/mol×K | 1011.30 | Joback Calculated Property |
| Cp,gas | 1450.15 | J/mol×K | 1050.30 | Joback Calculated Property |
| Cp,gas | 1490.53 | J/mol×K | 1089.30 | Joback Calculated Property |
| Cp,gas | 1533.37 | J/mol×K | 1128.29 | Joback Calculated Property |
| Cp,gas | 1579.12 | J/mol×K | 1167.29 | Joback Calculated Property |
| Cp,gas | 1628.24 | J/mol×K | 1206.29 | Joback Calculated Property |
| Cp,gas | 1681.16 | J/mol×K | 1245.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5Beta-hydroxycholestan-3-one.
Sources
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