- InChI
- InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
- InChI Key
- BWHOZHOGCMHOBV-BQYQJAHWSA-N
- Formula
- C10H10O
- SMILES
- CC(=O)C=Cc1ccccc1
- Molecular Weight1
- 146.19
- CAS
- 1896-62-4
- Other Names
-
- trans-Benzalacetone
- trans-Benzylidenacetone
- trans-Benzylideneacetone
- Methyl trans-styryl ketone
- trans-4-Phenyl-3-butene-2-one
- TPBO
- trans-4-Phenyl-3-buten-2-one
- (3E)-4-Phenyl-3-buten-2-one
- (E)-1-Buten-3-one, 1-phenyl
- (E)-4-Phenylbut-3-en-2-one
- trans-4-phenylbut-3-en-2-one
- 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.
- I : 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° | 97.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.41 | Crippen Calculated Property | |
| logPoct/wat | 2.289 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3333.53 | kPa | Joback Calculated Property |
| Inp | [1323.00; 1330.00] |
|
|
| Inp | 1330.00 | NIST | |
| Inp | 1323.00 | NIST | |
| Inp | 1323.00 | NIST | |
| I | 2032.00 | NIST | |
| Tboil | 535.20 | K | NIST |
| Tc | 738.22 | K | Joback Calculated Property |
| Tfus | 273.73 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.70; 326.13] | J/mol×K | [512.91; 738.22] |
|
| Cp,gas | 258.70 | J/mol×K | 512.91 | Joback Calculated Property |
| Cp,gas | 272.10 | J/mol×K | 550.46 | Joback Calculated Property |
| Cp,gas | 284.57 | J/mol×K | 588.01 | Joback Calculated Property |
| Cp,gas | 296.15 | J/mol×K | 625.56 | Joback Calculated Property |
| Cp,gas | 306.90 | J/mol×K | 663.11 | Joback Calculated Property |
| Cp,gas | 316.88 | J/mol×K | 700.67 | Joback Calculated Property |
| Cp,gas | 326.13 | J/mol×K | 738.22 | Joback Calculated Property |
| η | [0.0002186; 0.0028529] | Pa×s | [273.73; 512.91] |
|
| η | 0.0028529 | Pa×s | 273.73 | Joback Calculated Property |
| η | 0.0014163 | Pa×s | 313.59 | Joback Calculated Property |
| η | 0.0008235 | Pa×s | 353.46 | Joback Calculated Property |
| η | 0.0005344 | Pa×s | 393.32 | Joback Calculated Property |
| η | 0.0003755 | Pa×s | 433.18 | Joback Calculated Property |
| η | 0.0002801 | Pa×s | 473.05 | Joback Calculated Property |
| η | 0.0002186 | Pa×s | 512.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 4-phenyl-, (E)-.
Sources
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