- InChI
- InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3
- InChI Key
- WPRAXAOJIODQJR-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- CC(=O)c1ccc(C)c(C)c1
- Molecular Weight1
- 148.20
- CAS
- 3637-01-2
- Other Names
-
- 3,4-Dimethylacetophenone
- 3',4'-Dimethylacetophenone
- (3,4-Dimethylphenyl)ethanone
- Acetophenone, 3',4'-dimethyl-
- 1-(3,4-DimethylphenyI)ethanone
- 3,4-(CH3)2C6H3-COCH3
- 1-(3,4-dimethylphenyl)ethanone
- 1-(3,4-dimethylphenyl)ethan-1-one
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| PAff | 882.80 | kJ/mol | NIST |
| BasG | 851.00 | kJ/mol | NIST |
| ΔfG° | -2.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.20 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.506 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| I | [1823.00; 1836.00] |
|
|
| I | 1828.00 | NIST | |
| I | 1836.00 | NIST | |
| I | 1831.00 | NIST | |
| I | 1831.00 | NIST | |
| I | 1823.00 | NIST | |
| I | 1823.00 | NIST | |
| I | 1828.00 | NIST | |
| Tboil | [516.20; 519.70] | K |
|
| Tboil | 516.20 | K | NIST |
| Tboil | 519.70 | K | NIST |
| Tc | 735.99 | K | Joback Calculated Property |
| Tfus | 268.10 ± 1.00 | K | NIST |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.59; 345.38] | J/mol×K | [518.71; 735.99] |
|
| Cp,gas | 276.59 | J/mol×K | 518.71 | Joback Calculated Property |
| Cp,gas | 289.78 | J/mol×K | 554.92 | Joback Calculated Property |
| Cp,gas | 302.26 | J/mol×K | 591.14 | Joback Calculated Property |
| Cp,gas | 314.04 | J/mol×K | 627.35 | Joback Calculated Property |
| Cp,gas | 325.13 | J/mol×K | 663.56 | Joback Calculated Property |
| Cp,gas | 335.57 | J/mol×K | 699.77 | Joback Calculated Property |
| Cp,gas | 345.38 | J/mol×K | 735.99 | Joback Calculated Property |
| η | [0.0002423; 0.0017002] | Pa×s | [303.85; 518.71] |
|
| η | 0.0017002 | Pa×s | 303.85 | Joback Calculated Property |
| η | 0.0010355 | Pa×s | 339.66 | Joback Calculated Property |
| η | 0.0006932 | Pa×s | 375.47 | Joback Calculated Property |
| η | 0.0004977 | Pa×s | 411.28 | Joback Calculated Property |
| η | 0.0003768 | Pa×s | 447.09 | Joback Calculated Property |
| η | 0.0002973 | Pa×s | 482.90 | Joback Calculated Property |
| η | 0.0002423 | Pa×s | 518.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(3,4-dimethylphenyl)-.
Sources
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