- InChI
- InChI=1S/C27H44O/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/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23-,24+,25+,26+,27-/m0/s1
- InChI Key
- UPGTYLFCVNHBTN-QWKBDWIISA-N
- Formula
- C27H44O
- SMILES
-
CC(C)CC=CC(C)C1CCC2C3CC=C4CC(O
)CCC4(C)C3CCC12C - Molecular Weight1
- 384.64
- CAS
- 92218-20-7
- Other Names
-
- Cholesta-5,22-dien-3«beta»-ol
- 22-Dehydrocholesterol
- 3«beta»-Cholesta-5,22-dien-3-ol
- Cholesta-5,22-dien-3-«beta»-ol, cis
- 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 | 0.6250 | Relay (1.0) Calculated Property | |
| ΔfG° | 283.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 145.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.165 | Crippen Calculated Property | |
| McVol | 345.120 | ml/mol | McGowan Calculated Property |
| Pc | 1116.31 | kPa | Joback Calculated Property |
| Tboil | 681.38 | K | Relay (1.0) Calculated Property |
| Tc | 946.46 | K | Relay (1.0) Calculated Property |
| Tfus | 430.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.212 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1290.10; 1489.90] | J/mol×K | [951.54; 1176.23] | 
|
| Cp,gas | 1290.10 | J/mol×K | 951.54 | Joback Calculated Property |
| Cp,gas | 1320.53 | J/mol×K | 988.99 | Joback Calculated Property |
| Cp,gas | 1351.64 | J/mol×K | 1026.44 | Joback Calculated Property |
| Cp,gas | 1383.79 | J/mol×K | 1063.89 | Joback Calculated Property |
| Cp,gas | 1417.31 | J/mol×K | 1101.33 | Joback Calculated Property |
| Cp,gas | 1452.57 | J/mol×K | 1138.78 | Joback Calculated Property |
| Cp,gas | 1489.90 | J/mol×K | 1176.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cholesta-5,22-dien-3-ol, (3«beta»)-.
Sources
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