- InChI
- InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h6,8,18-25,28H,7,9-17H2,1-5H3/b8-6-/t19?,20-,21-,22?,23?,24?,25?,26?,27?/m1/s1
- InChI Key
- BWGQUGBECNWWDB-VSSCPYPWSA-N
- Formula
- C27H46O
- SMILES
-
CC(C)CC=CC(C)C1CCC2C3CCC4CC(O)
CCC4(C)C3CCC12C - Molecular Weight1
- 386.65
- 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 | 0.6488 | Relay (1.0) Calculated Property | |
| ΔfG° | 255.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -523.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.245 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1077.10 | kPa | Joback Calculated Property |
| Inp | [3080.00; 3080.00] |
|
|
| Inp | 3080.00 | NIST | |
| Inp | 3080.00 | NIST | |
| Tboil | 690.99 | K | Relay (1.0) Calculated Property |
| Tc | 958.08 | K | Relay (1.0) Calculated Property |
| Tfus | 431.48 | K | Relay (1.0) Calculated Property |
| Vc | 1.239 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1322.83; 1521.51] | J/mol×K | [942.73; 1165.42] |
|
| Cp,gas | 1322.83 | J/mol×K | 942.73 | Joback Calculated Property |
| Cp,gas | 1353.67 | J/mol×K | 979.84 | Joback Calculated Property |
| Cp,gas | 1384.97 | J/mol×K | 1016.96 | Joback Calculated Property |
| Cp,gas | 1417.07 | J/mol×K | 1054.07 | Joback Calculated Property |
| Cp,gas | 1450.30 | J/mol×K | 1091.19 | Joback Calculated Property |
| Cp,gas | 1485.00 | J/mol×K | 1128.30 | Joback Calculated Property |
| Cp,gas | 1521.51 | J/mol×K | 1165.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-«alpha»-Cholest-22-en-3-«beta»-ol, cis.
Sources
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