- InChI
- InChI=1S/C17H16/c1-15(17-13-6-3-7-14-17)9-8-12-16-10-4-2-5-11-16/h2-14H,1H3/b12-8+,15-9-
- InChI Key
- KIHWPIBJULXNGT-VQDQISGBSA-N
- Formula
- C17H16
- SMILES
- CC(=CC=Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 220.31
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4026 | Relay (1.0) Calculated Property | |
| ΔfG° | 468.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 284.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.803 | Crippen Calculated Property | |
| McVol | 194.270 | ml/mol | McGowan Calculated Property |
| Pc | 2313.61 | kPa | Joback Calculated Property |
| Inp | [1900.00; 1961.00] |
|
|
| Inp | 1900.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Tboil | 603.87 | K | Relay (1.0) Calculated Property |
| Tc | 837.75 | K | Relay (1.0) Calculated Property |
| Tfus | 374.40 | K | Relay (1.0) Calculated Property |
| Vc | 0.698 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.33; 571.27] | J/mol×K | [649.92; 899.78] |
|
| Cp,gas | 481.33 | J/mol×K | 649.92 | Joback Calculated Property |
| Cp,gas | 499.56 | J/mol×K | 691.56 | Joback Calculated Property |
| Cp,gas | 516.31 | J/mol×K | 733.21 | Joback Calculated Property |
| Cp,gas | 531.70 | J/mol×K | 774.85 | Joback Calculated Property |
| Cp,gas | 545.90 | J/mol×K | 816.49 | Joback Calculated Property |
| Cp,gas | 559.04 | J/mol×K | 858.14 | Joback Calculated Property |
| Cp,gas | 571.27 | J/mol×K | 899.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-diphenyl-1,3-pentadiene.
Sources
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