![17-(1,5-Dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol](/cid/69-022-1/17-1-5-Dimethyl-hex-2-enyl-10-13-dimethyl-2-3-4-9-10-11-12-13-14-15-16-17-dodecahydro-1H-cyclopenta-a-phenanthren-3-ol.png "17-(1,5-Dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol")
- InChI
- InChI=1S/C27H42O/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/h6,8-10,18-19,21,23-25,28H,7,11-17H2,1-5H3/b8-6-
- InChI Key
- RQOCXCFLRBRBCS-VURMDHGXSA-N
- Formula
- C27H42O
- SMILES
-
CC(C)CC=CC(C)C1CCC2C3=CC=C4CC(
O)CCC4(C)C3CCC21C - Molecular Weight1
- 382.62
- Other Names
-
- Cholesta-5,7,22-trien-3-«beta»-ol
- 5,7,22-Cholestatrien-3«beta»-ol
- 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 | 0.6233 | Relay (... Calculated Property | |
| ΔfG° | 311.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.88 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.12 | kJ/mol | Relay (... Calculated Property |
| IE | 7.94 | eV | Relay (... Calculated Property |
| log10WS | -6.58 | Relay (... Calculated Property | |
| logPoct/wat | 7.085 | Crippen Calculated Property | |
| McVol | 340.820 | ml/mol | McGowan Calculated Property |
| Pc | 1157.71 | kPa | Joback Calculated Property |
| Inp | 3120.00 | NIST | |
| Tboil | 678.23 | K | Relay (... Calculated Property |
| Tc | 947.32 | K | Relay (... Calculated Property |
| Tfus | 413.74 | K | Relay (... Calculated Property |
| Vc | 1.195 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1256.99; 1458.48] | J/mol×K | [960.35; 1187.04] | 
|
| Cp,gas | 1256.99 | J/mol×K | 960.35 | Joback Calculated Property |
| Cp,gas | 1287.08 | J/mol×K | 998.13 | Joback Calculated Property |
| Cp,gas | 1318.09 | J/mol×K | 1035.91 | Joback Calculated Property |
| Cp,gas | 1350.37 | J/mol×K | 1073.70 | Joback Calculated Property |
| Cp,gas | 1384.29 | J/mol×K | 1111.48 | Joback Calculated Property |
| Cp,gas | 1420.21 | J/mol×K | 1149.26 | Joback Calculated Property |
| Cp,gas | 1458.48 | J/mol×K | 1187.04 | Joback Calculated Property |
Similar Compounds
Sources
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