- InChI
- InChI=1S/C16H14O/c17-16(13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-12H,13H2/b12-11+
- InChI Key
- QMDWBHJPUAOGHO-VAWYXSNFSA-N
- Formula
- C16H14O
- SMILES
- O=C(C=Cc1ccccc1)Cc1ccccc1
- Molecular Weight1
- 222.28
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 259.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 104.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 | kJ/mol | Joback Calculated Property |
| log10WS | -4.03 | Crippen Calculated Property | |
| logPoct/wat | 3.512 | Crippen Calculated Property | |
| McVol | 186.050 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Inp | 2038.90 | NIST | |
| Tboil | 676.87 | K | Joback Calculated Property |
| Tc | 923.21 | K | Joback Calculated Property |
| Tfus | 367.77 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [469.90; 548.51] | J/mol×K | [676.87; 923.21] | 
|
| Cp,gas | 469.90 | J/mol×K | 676.87 | Joback Calculated Property |
| Cp,gas | 485.96 | J/mol×K | 717.93 | Joback Calculated Property |
| Cp,gas | 500.69 | J/mol×K | 758.98 | Joback Calculated Property |
| Cp,gas | 514.20 | J/mol×K | 800.04 | Joback Calculated Property |
| Cp,gas | 526.60 | J/mol×K | 841.10 | Joback Calculated Property |
| Cp,gas | 538.00 | J/mol×K | 882.15 | Joback Calculated Property |
| Cp,gas | 548.51 | J/mol×K | 923.21 | Joback Calculated Property |
| η | [0.0001343; 0.0018365] | Pa×s | [367.77; 676.87] |
|
| η | 0.0018365 | Pa×s | 367.77 | Joback Calculated Property |
| η | 0.0009086 | Pa×s | 419.29 | Joback Calculated Property |
| η | 0.0005244 | Pa×s | 470.80 | Joback Calculated Property |
| η | 0.0003373 | Pa×s | 522.32 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 573.84 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 625.35 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 676.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-diphenyl-3-buten-2-one.
Sources
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