- InChI
- InChI=1S/C10H10O/c1-8(2)10(11)9-6-4-3-5-7-9/h3-7H,1H2,2H3
- InChI Key
- KJCFAQDTHMIAAN-UHFFFAOYSA-N
- Formula
- C10H10O
- SMILES
- C=C(C)C(=O)c1ccccc1
- Molecular Weight1
- 146.19
- CAS
- 769-60-8
- 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 | 0.4243 | Relay (1.0) Calculated Property | |
| ΔfG° | 96.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -4.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.445 | Crippen Calculated Property | |
| McVol | 125.270 | ml/mol | McGowan Calculated Property |
| Pc | 3314.37 | kPa | Joback Calculated Property |
| Tboil | 491.78 | K | Relay (1.0) Calculated Property |
| Tc | 711.78 | K | Relay (1.0) Calculated Property |
| Tfus | 280.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.459 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [258.43; 326.49] | J/mol×K | [505.31; 729.34] | 
|
| Cp,gas | 258.43 | J/mol×K | 505.31 | Joback Calculated Property |
| Cp,gas | 271.88 | J/mol×K | 542.65 | Joback Calculated Property |
| Cp,gas | 284.43 | J/mol×K | 579.99 | Joback Calculated Property |
| Cp,gas | 296.13 | J/mol×K | 617.33 | Joback Calculated Property |
| Cp,gas | 307.00 | J/mol×K | 654.66 | Joback Calculated Property |
| Cp,gas | 317.11 | J/mol×K | 692.00 | Joback Calculated Property |
| Cp,gas | 326.49 | J/mol×K | 729.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propen-1-one, 2-methyl-1-phenyl-.
Sources
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