- InChI
- InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8+
- InChI Key
- BQJFBHBDOAIIGS-CMDGGOBGSA-N
- Formula
- C11H12O
- SMILES
- CC(=O)C(C)=Cc1ccccc1
- Molecular Weight1
- 160.21
- CAS
- 1901-26-4
- Other Names
-
- «alpha»-Methylbenzylideneacetone
- 3-methyl-4-phenyl-3-buten-2-one
- 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).
- 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 | 0.3985 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -53.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.62 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.679 | Crippen Calculated Property | |
| McVol | 139.360 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Tboil | 522.40 | K | Relay (1.0) Calculated Property |
| Tc | 744.65 | K | Relay (1.0) Calculated Property |
| Tfus | 306.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.498 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.02; 376.33] | J/mol×K | [535.67; 761.28] | 
|
| Cp,gas | 303.02 | J/mol×K | 535.67 | Joback Calculated Property |
| Cp,gas | 317.55 | J/mol×K | 573.27 | Joback Calculated Property |
| Cp,gas | 331.07 | J/mol×K | 610.87 | Joback Calculated Property |
| Cp,gas | 343.65 | J/mol×K | 648.48 | Joback Calculated Property |
| Cp,gas | 355.35 | J/mol×K | 686.08 | Joback Calculated Property |
| Cp,gas | 366.22 | J/mol×K | 723.68 | Joback Calculated Property |
| Cp,gas | 376.33 | J/mol×K | 761.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Buten-2-one, 3-methyl-4-phenyl-.
Sources
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