- InChI
- InChI=1S/C18H20/c1-3-10-18(17-13-8-5-9-14-17)15(2)16-11-6-4-7-12-16/h4-15H,3H2,1-2H3/b18-10-
- InChI Key
- MSVPALSZRZMLFS-ZDLGFXPLSA-N
- Formula
- C18H20
- SMILES
- CCC=C(c1ccccc1)C(C)c1ccccc1
- Molecular Weight1
- 236.35
- 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 | 0.4348 | Relay (1.0) Calculated Property | |
| ΔfG° | 394.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 164.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.284 | Crippen Calculated Property | |
| McVol | 212.660 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | 1880.00 | NIST | |
| Tboil | 583.98 | K | Relay (1.0) Calculated Property |
| Tc | 819.60 | K | Relay (1.0) Calculated Property |
| Tfus | 292.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.65; 680.60] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.68390e+01 | |||
| Coefficient B | 1.58184e+00 | |||
| Coefficient C | -1.10710e-03 | |||
| Coefficient D | 3.02700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.62 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 465.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 516.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 560.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 597.79 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 629.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 656.87 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 680.60 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-diphenyl-3-hexene.
Sources
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