- InChI
- InChI=1S/C12H14/c1-2-3-4-6-9-12-10-7-5-8-11-12/h2-8,10-11H,9H2,1H3/b3-2-,6-4+
- InChI Key
- JSQZPUUCMYDLKO-ZPYFUIHZSA-N
- Formula
- C12H14
- SMILES
- C/C=C/C=C\Cc1ccccc1
- Molecular Weight1
- 158.24
- Other Names
-
- 2,4-Hexadienylbenzene
- 6-Phenyl-2,4-hexadiene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 21.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.361 | Crippen Calculated Property | |
| McVol | 147.580 | ml/mol | McGowan Calculated Property |
| Inp | [1446.00; 1517.00] |
|
|
| Inp | 1517.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Inp | 1446.00 | NIST | |
| Tboil | 497.45 | K | Relay (1.0) Calculated Property |
| Tfus | 233.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 | [310.94; 392.55] | J/mol×K | [509.16; 727.96] |
|
| Cp,gas | 310.94 | J/mol×K | 509.16 | Joback Calculated Property |
| Cp,gas | 327.06 | J/mol×K | 545.63 | Joback Calculated Property |
| Cp,gas | 342.08 | J/mol×K | 582.09 | Joback Calculated Property |
| Cp,gas | 356.06 | J/mol×K | 618.56 | Joback Calculated Property |
| Cp,gas | 369.08 | J/mol×K | 655.03 | Joback Calculated Property |
| Cp,gas | 381.22 | J/mol×K | 691.50 | Joback Calculated Property |
| Cp,gas | 392.55 | J/mol×K | 727.96 | Joback Calculated Property |
| η | [0.0001477; 0.0033122] | Pa×s | [241.26; 509.16] |
|
| η | 0.0033122 | Pa×s | 241.26 | Joback Calculated Property |
| η | 0.0013157 | Pa×s | 285.91 | Joback Calculated Property |
| η | 0.0006707 | Pa×s | 330.56 | Joback Calculated Property |
| η | 0.0004014 | Pa×s | 375.21 | Joback Calculated Property |
| η | 0.0002679 | Pa×s | 419.86 | Joback Calculated Property |
| η | 0.0001933 | Pa×s | 464.51 | Joback Calculated Property |
| η | 0.0001477 | Pa×s | 509.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to HEXA-2,4-DIENYLBENZENE.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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