- 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.78; 458.73] | 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 | -7.02890e+01 | |||
| Coefficient B | 1.10492e+00 | |||
| Coefficient C | -8.27800e-04 | |||
| Coefficient D | 2.51900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 274.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 313.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 347.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 376.46 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 401.23 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 422.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 441.57 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 458.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0033122; 0.0001473] | Pa×s | [241.26; 509.57] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.16219e+01 | |||
| Coefficient B | 1.42626e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 241.26 | |||
| Temperature range, max. | 509.57 | |||
| η | 0.0033122 | Pa×s | 241.26 | Calculated Property |
| η | 0.0017288 | Pa×s | 271.07 | Calculated Property |
| η | 0.0010264 | Pa×s | 300.89 | Calculated Property |
| η | 0.0006695 | Pa×s | 330.70 | Calculated Property |
| η | 0.0004687 | Pa×s | 360.51 | Calculated Property |
| η | 0.0003464 | Pa×s | 390.32 | Calculated Property |
| η | 0.0002673 | Pa×s | 420.14 | Calculated Property |
| η | 0.0002135 | Pa×s | 449.95 | Calculated Property |
| η | 0.0001753 | Pa×s | 479.76 | Calculated Property |
| η | 0.0001473 | Pa×s | 509.57 | 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
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