- InChI
- InChI=1S/C18H18/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-14H,1-2H3/b15-13-,16-14-
- InChI Key
- GGZMJMQKUXVBCQ-VMNXYWKNSA-N
- Formula
- C18H18
- SMILES
- CC(=CC=C(C)c1ccccc1)c1ccccc1
- Molecular Weight1
- 234.34
- CAS
- 16819-47-9
- Other Names
-
- [1-Methyl-4-phenyl-1,3-pentadienyl]benzene
- 2,4-Hexadiene, 2,5-diphenyl-
- 1,6-Diphenylhexadiene
- 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).
- 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 | 0.4378 | Relay (1.0) Calculated Property | |
| ΔfG° | 468.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 241.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | NIST |
| log10WS | -5.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 208.360 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Tboil | 606.16 | K | Relay (1.0) Calculated Property |
| Tc | 837.73 | K | Relay (1.0) Calculated Property |
| Tfus | 401.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.25; 626.75] | J/mol×K | [672.68; 921.38] | 
|
| Cp,gas | 533.25 | J/mol×K | 672.68 | Joback Calculated Property |
| Cp,gas | 552.07 | J/mol×K | 714.13 | Joback Calculated Property |
| Cp,gas | 569.39 | J/mol×K | 755.58 | Joback Calculated Property |
| Cp,gas | 585.37 | J/mol×K | 797.03 | Joback Calculated Property |
| Cp,gas | 600.16 | J/mol×K | 838.48 | Joback Calculated Property |
| Cp,gas | 613.90 | J/mol×K | 879.93 | Joback Calculated Property |
| Cp,gas | 626.75 | J/mol×K | 921.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Diphenyl-2,4-hexadiene.
Sources
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