- 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/h18-21,23,25,28H,6-17H2,1-5H3/t19?,20-,21-,23?,25?,26?,27?/m1/s1
- InChI Key
- ONYPIMNXSARKFQ-JCBODBBOSA-N
- Formula
- C27H46O
- SMILES
-
CC(C)CCCC(C)C1CCC2=C3CCC4CC(O)
CCC4(C)C3CCC21C - Molecular Weight1
- 386.65
- CAS
- 566-99-4
- Other Names
-
- 5«alpha»-Cholest-8(14)-en-3«beta»-ol
- Doristerol
- 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 | 0.7056 | Relay (... Calculated Property | |
| ΔfG° | 201.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -477.98 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 34.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.88 | kJ/mol | Relay (... Calculated Property |
| IE | 8.03 | eV | Relay (... Calculated Property |
| log10WS | -6.85 | Relay (... Calculated Property | |
| logPoct/wat | 7.533 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1091.38 | kPa | Joback Calculated Property |
| Inp | 3125.00 | NIST | |
| Tboil | 695.38 | K | Relay (... Calculated Property |
| Tc | 962.00 | K | Relay (... Calculated Property |
| Tfus | 404.91 | K | Relay (... Calculated Property |
| Vc | 1.259 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1315.11; 1513.49] | J/mol×K | [957.03; 1179.28] | 
|
| Cp,gas | 1315.11 | J/mol×K | 957.03 | Joback Calculated Property |
| Cp,gas | 1345.55 | J/mol×K | 994.07 | Joback Calculated Property |
| Cp,gas | 1376.61 | J/mol×K | 1031.11 | Joback Calculated Property |
| Cp,gas | 1408.61 | J/mol×K | 1068.16 | Joback Calculated Property |
| Cp,gas | 1441.88 | J/mol×K | 1105.20 | Joback Calculated Property |
| Cp,gas | 1476.73 | J/mol×K | 1142.24 | Joback Calculated Property |
| Cp,gas | 1513.49 | J/mol×K | 1179.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholest-8(14)-en-3-ol, (3«beta»,5«alpha»)-.
Sources
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