- InChI
- InChI=1S/C16H14O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11H,1,12H2
- InChI Key
- IARGMAYLOFUHTE-UHFFFAOYSA-N
- Formula
- C16H14O
- SMILES
- C=C(CC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 222.28
- 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 | 0.5292 | Relay (1.0) Calculated Property | |
| ΔfG° | 259.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 107.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.973 | Crippen Calculated Property | |
| McVol | 186.050 | ml/mol | McGowan Calculated Property |
| Pc | 2545.61 | kPa | Joback Calculated Property |
| Inp | [1887.20; 1887.20] |
|
|
| Inp | 1887.20 | NIST | |
| Inp | 1887.20 | NIST | |
| Tboil | 603.96 | K | Relay (1.0) Calculated Property |
| Tc | 870.85 | K | Relay (1.0) Calculated Property |
| Tfus | 352.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.22; 548.71] | J/mol×K | [669.27; 914.88] |
|
| Cp,gas | 469.22 | J/mol×K | 669.27 | Joback Calculated Property |
| Cp,gas | 485.52 | J/mol×K | 710.20 | Joback Calculated Property |
| Cp,gas | 500.47 | J/mol×K | 751.14 | Joback Calculated Property |
| Cp,gas | 514.16 | J/mol×K | 792.07 | Joback Calculated Property |
| Cp,gas | 526.70 | J/mol×K | 833.01 | Joback Calculated Property |
| Cp,gas | 538.18 | J/mol×K | 873.94 | Joback Calculated Property |
| Cp,gas | 548.71 | J/mol×K | 914.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-diphenyl-1-buten-4-one.
Sources
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