- InChI
- InChI=1S/C18H20/c1-16(18-14-6-3-7-15-18)10-8-9-13-17-11-4-2-5-12-17/h2-7,10-12,14-15H,8-9,13H2,1H3/b16-10+
- InChI Key
- KVNHMICZJAILQV-MHWRWJLKSA-N
- Formula
- C18H20
- SMILES
- CC(=CCCCc1ccccc1)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 | 0.5213 | Relay (1.0) Calculated Property | |
| ΔfG° | 397.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 174.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.40 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.113 | Crippen Calculated Property | |
| McVol | 212.660 | ml/mol | McGowan Calculated Property |
| Pc | 2016.32 | kPa | Joback Calculated Property |
| Inp | 1914.30 | NIST | |
| Tboil | 612.11 | K | Relay (1.0) Calculated Property |
| Tc | 836.21 | K | Relay (1.0) Calculated Property |
| Tfus | 287.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.97; 680.06] | 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 | -9.51570e+01 | |||
| Coefficient B | 1.57592e+00 | |||
| Coefficient C | -1.10390e-03 | |||
| Coefficient D | 3.03200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 258.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 337.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 406.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 465.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 516.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 559.82 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 597.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 628.85 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 656.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 680.06 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-diphenyl-2-hexene.
Sources
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