- InChI
- InChI=1S/C17H16/c1-15(17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-11,13-14H,1,12H2/b9-8+
- InChI Key
- LOUCPTJGQXEIQI-CMDGGOBGSA-N
- Formula
- C17H16
- SMILES
- C=C(C=CCc1ccccc1)c1ccccc1
- Molecular Weight1
- 220.31
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | 334.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.96 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.499 | Crippen Calculated Property | |
| McVol | 194.270 | ml/mol | McGowan Calculated Property |
| Inp | [1942.90; 1942.90] |
|
|
| Inp | 1942.90 | NIST | |
| Inp | 1942.90 | NIST | |
| Tboil | 592.00 | K | Relay (1.0) Calculated Property |
| Tfus | 294.03 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.94; 599.96] | 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 | -9.72390e+01 | |||
| Coefficient B | 1.46090e+00 | |||
| Coefficient C | -1.07240e-03 | |||
| Coefficient D | 3.08700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 227.94 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 299.04 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 360.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 413.06 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 457.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 496.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 528.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 555.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 579.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 599.96 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-diphenyl-1,3-pentadiene.
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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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