- 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/h6,11-12,19-20,22-25H,7-10,13-18H2,1-5H3
- InChI Key
- RLHIRZFWJBOHHD-UHFFFAOYSA-N
- Formula
- C27H44
- SMILES
-
CC(C)CCCC(C)C1CCC2C3CC=C4C=CCC
C4(C)C3CCC12C - Molecular Weight1
- 368.64
- CAS
- 747-90-0
- Other Names
-
- «delta»(3,5)-Cholestadiene
- Cholesterilene
- Cholestadiene
- 3,5-Cholestadiene
- Cholest-3,5-diene
- D3,5-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 | 0.5318 | Relay (1.0) Calculated Property | |
| ΔfG° | 377.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.29 | 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 | [2880.00; 2880.00] |
|
|
| Inp | 2880.00 | NIST | |
| Inp | 2880.00 | NIST | |
| Tboil | 655.03 | K | Relay (1.0) Calculated Property |
| Tc | 911.78 | K | Relay (1.0) Calculated Property |
| Tfus | 372.85 | K | Relay (1.0) Calculated Property |
| Vc | 1.216 | 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
Find more compounds similar to Cholesta-3,5-diene.
Sources
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