- InChI
- InChI=1S/C12H14O2/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13/h4-8H,1-3H3
- InChI Key
- OKDVJTURSCLUBA-UHFFFAOYSA-N
- Formula
- C12H14O2
- SMILES
- CC(=O)c1ccc(C(=O)C(C)C)cc1
- Molecular Weight1
- 190.24
- 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° | -107.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.39 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 2.728 | Crippen Calculated Property | |
| McVol | 159.320 | ml/mol | McGowan Calculated Property |
| Pc | 2712.67 | kPa | Joback Calculated Property |
| Inp | [1551.00; 1551.00] |
|
|
| Inp | 1551.00 | NIST | |
| Inp | 1551.00 | NIST | |
| Tboil | 612.92 | K | Joback Calculated Property |
| Tc | 834.15 | K | Joback Calculated Property |
| Tfus | 348.80 | K | Joback Calculated Property |
| Vc | 0.606 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.15; 459.34] | J/mol×K | [612.92; 834.15] |
|
| Cp,gas | 387.15 | J/mol×K | 612.92 | Joback Calculated Property |
| Cp,gas | 401.36 | J/mol×K | 649.79 | Joback Calculated Property |
| Cp,gas | 414.65 | J/mol×K | 686.66 | Joback Calculated Property |
| Cp,gas | 427.07 | J/mol×K | 723.54 | Joback Calculated Property |
| Cp,gas | 438.63 | J/mol×K | 760.41 | Joback Calculated Property |
| Cp,gas | 449.38 | J/mol×K | 797.28 | Joback Calculated Property |
| Cp,gas | 459.34 | J/mol×K | 834.15 | Joback Calculated Property |
| η | [0.0002200; 0.0024558] | Pa×s | [348.80; 612.92] |
|
| η | 0.0024558 | Pa×s | 348.80 | Joback Calculated Property |
| η | 0.0013114 | Pa×s | 392.82 | Joback Calculated Property |
| η | 0.0007947 | Pa×s | 436.84 | Joback Calculated Property |
| η | 0.0005278 | Pa×s | 480.86 | Joback Calculated Property |
| η | 0.0003754 | Pa×s | 524.88 | Joback Calculated Property |
| η | 0.0002815 | Pa×s | 568.90 | Joback Calculated Property |
| η | 0.0002200 | Pa×s | 612.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Acetylphenyl)-2-methyl-1-propanone.
Sources
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