- InChI
- InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
- InChI Key
- DQFBYFPFKXHELB-VAWYXSNFSA-N
- Formula
- C15H12O
- SMILES
- O=C(C=Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 208.26
- CAS
- 614-47-1
- Other Names
-
- trans-Chalcone
- trans-Benzalacetophenone
- (E)-Chalcone
- Phenyl (E)-2-phenylethenyl ketone
- Phenyl trans-styryl ketone
- Benzalacetophenone
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | 251.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 124.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.24 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.583 | Crippen Calculated Property | |
| McVol | 171.960 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Tboil | 653.99 | K | Joback Calculated Property |
| Tc | 905.95 | K | Joback Calculated Property |
| Tfus | 356.50 | K | Joback Calculated Property |
| Vc | 0.645 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.04; 494.84] | J/mol×K | [653.99; 905.95] | 
|
| Cp,gas | 419.04 | J/mol×K | 653.99 | Joback Calculated Property |
| Cp,gas | 434.68 | J/mol×K | 695.98 | Joback Calculated Property |
| Cp,gas | 448.96 | J/mol×K | 737.98 | Joback Calculated Property |
| Cp,gas | 462.00 | J/mol×K | 779.97 | Joback Calculated Property |
| Cp,gas | 473.92 | J/mol×K | 821.97 | Joback Calculated Property |
| Cp,gas | 484.83 | J/mol×K | 863.96 | Joback Calculated Property |
| Cp,gas | 494.84 | J/mol×K | 905.95 | Joback Calculated Property |
| η | [0.0001483; 0.0019321] | Pa×s | [356.50; 653.99] |
|
| η | 0.0019321 | Pa×s | 356.50 | Joback Calculated Property |
| η | 0.0009699 | Pa×s | 406.08 | Joback Calculated Property |
| η | 0.0005657 | Pa×s | 455.66 | Joback Calculated Property |
| η | 0.0003668 | Pa×s | 505.25 | Joback Calculated Property |
| η | 0.0002569 | Pa×s | 554.83 | Joback Calculated Property |
| η | 0.0001908 | Pa×s | 604.41 | Joback Calculated Property |
| η | 0.0001483 | Pa×s | 653.99 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 481.20 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to 2-Propen-1-one, 1,3-diphenyl-, (E)-.
Sources
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