- InChI
- InChI=1S/C18H18/c1-15(17-9-5-3-6-10-17)13-14-16(2)18-11-7-4-8-12-18/h3-12,14H,1,13H2,2H3/b16-14-
- InChI Key
- GASNOTNZDSKOAZ-PEZBUJJGSA-N
- Formula
- C18H18
- SMILES
- C=C(C/C=C(/C)c1ccccc1)c1ccccc1
- Molecular Weight1
- 234.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 309.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.87 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.193 | Crippen Calculated Property | |
| McVol | 208.360 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [1822.00; 1822.00] |
|
|
| Inp | 1822.00 | NIST | |
| Inp | 1822.00 | NIST | |
| Tboil | 609.53 | K | Relay (1.0) Calculated Property |
| Tc | 841.97 | K | Relay (1.0) Calculated Property |
| Tfus | 315.75 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.47; 625.62] | J/mol×K | [665.40; 909.08] |
|
| Cp,gas | 532.47 | J/mol×K | 665.40 | Joback Calculated Property |
| Cp,gas | 551.24 | J/mol×K | 706.01 | Joback Calculated Property |
| Cp,gas | 568.54 | J/mol×K | 746.63 | Joback Calculated Property |
| Cp,gas | 584.50 | J/mol×K | 787.24 | Joback Calculated Property |
| Cp,gas | 599.25 | J/mol×K | 827.85 | Joback Calculated Property |
| Cp,gas | 612.91 | J/mol×K | 868.46 | Joback Calculated Property |
| Cp,gas | 625.62 | J/mol×K | 909.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Hexadiene, 2,5-diphenyl.
Sources
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