- InChI
- InChI=1S/C27H44/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h6-7,11,19-20,22-25H,8-10,12-18H2,1-5H3
- InChI Key
- BDJOURVDARTIRJ-UHFFFAOYSA-N
- Formula
- C27H44
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CCC4=CC=CC
C4(C)C3CCC12C - Molecular Weight1
- 368.64
- CAS
- 4117-50-4
- Other Names
-
- 2,4-Cholestadiene
- 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 | 0.5243 | Relay (1.0) Calculated Property | |
| ΔfG° | 377.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.194 | Crippen Calculated Property | |
| McVol | 339.250 | ml/mol | McGowan Calculated Property |
| Pc | 1062.40 | kPa | Joback Calculated Property |
| Inp | 2872.00 | NIST | |
| Tboil | 660.34 | K | Relay (1.0) Calculated Property |
| Tc | 913.21 | K | Relay (1.0) Calculated Property |
| Tfus | 367.00 | K | Relay (1.0) Calculated Property |
| Vc | 1.214 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1191.70; 1374.41] | J/mol×K | [859.03; 1084.16] | 
|
| Cp,gas | 1191.70 | J/mol×K | 859.03 | Joback Calculated Property |
| Cp,gas | 1221.42 | J/mol×K | 896.55 | Joback Calculated Property |
| Cp,gas | 1250.97 | J/mol×K | 934.07 | Joback Calculated Property |
| Cp,gas | 1280.70 | J/mol×K | 971.60 | Joback Calculated Property |
| Cp,gas | 1310.96 | J/mol×K | 1009.12 | Joback Calculated Property |
| Cp,gas | 1342.08 | J/mol×K | 1046.64 | Joback Calculated Property |
| Cp,gas | 1374.41 | J/mol×K | 1084.16 | Joback Calculated Property |
Similar Compounds
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)
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