- InChI
- InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
- InChI Key
- YXWWHNCQZBVZPV-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC(=O)c1ccccc1C
- Molecular Weight1
- 134.18
- CAS
- 577-16-2
- Other Names
-
- 1-(2-Methylphenyl)ethanone
- 2'-Methylacetylphenone
- 2'-methylacetophenone
- 2-Acetyltoluene
- 2-methylacetophenone
- Acetophenone, 2'-methyl-
- Methyl 2-methylphenyl ketone
- NSC 84233
- acetophenone, 2-methyl-
- methyl o-tolyl ketone
- o-Acetyltoluene
- o-Methylacetophenone
- ω : Acentric Factor.
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ω | 0.4304 | Relay (1.0) Calculated Property | |
| ΔfG° | -1.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.90; 9.27] | eV |
|
| IE | 9.27 ± 0.01 | eV | NIST |
| IE | 8.90 | eV | NIST |
| IE | 9.15 | eV | NIST |
| log10WS | -2.04 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.198 | Crippen Calculated Property | |
| McVol | 115.480 | ml/mol | McGowan Calculated Property |
| Pc | 3448.03 | kPa | Joback Calculated Property |
| Inp | [1108.00; 1181.20] |
|
|
| Inp | 1112.40 | NIST | |
| Inp | 1113.10 | NIST | |
| Inp | 1124.70 | NIST | |
| Inp | 1174.60 | NIST | |
| Inp | 1177.70 | NIST | |
| Inp | 1181.20 | NIST | |
| Inp | 1133.70 | NIST | |
| Inp | 1128.60 | NIST | |
| Inp | 1110.00 | NIST | |
| Inp | 1170.00 | NIST | |
| Inp | 1139.00 | NIST | |
| Inp | 1108.00 | NIST | |
| Inp | 1112.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1112.40 | NIST | |
| Inp | 1181.20 | NIST | |
| Inp | 1112.00 | NIST | |
| I | [1686.00; 1738.00] |
|
|
| I | 1690.00 | NIST | |
| I | 1686.00 | NIST | |
| I | 1738.00 | NIST | |
| I | 1690.00 | NIST | |
| Tboil | 487.20 | K | NIST |
| Tc | 719.30 | K | Relay (1.0) Calculated Property |
| Tfus | 257.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.426 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 58.90 | kJ/mol | 298.15 | Calorimetric study of 20-methylacetophenone and 40-methylacetophenone |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [142.62; 351.10] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.75400e+01 | |||
| Coefficient B | 6.92440e-01 | |||
| Coefficient C | -4.11260e-04 | |||
| Coefficient D | 8.74600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 142.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 212.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 242.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 267.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 289.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 309.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 325.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 339.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 351.10 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021873; 0.0002513] | Pa×s | [280.06; 497.55] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10748e+01 | |||
| Coefficient B | 1.38623e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 280.06 | |||
| Temperature range, max. | 497.55 | |||
| η | 0.0021873 | Pa×s | 280.06 | Calculated Property |
| η | 0.0014763 | Pa×s | 304.23 | Calculated Property |
| η | 0.0010557 | Pa×s | 328.39 | Calculated Property |
| η | 0.0007905 | Pa×s | 352.56 | Calculated Property |
| η | 0.0006142 | Pa×s | 376.72 | Calculated Property |
| η | 0.0004920 | Pa×s | 400.89 | Calculated Property |
| η | 0.0004042 | Pa×s | 425.05 | Calculated Property |
| η | 0.0003392 | Pa×s | 449.22 | Calculated Property |
| η | 0.0002897 | Pa×s | 473.39 | Calculated Property |
| η | 0.0002513 | Pa×s | 497.55 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-methylphenyl)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Calorimetric study of 20-methylacetophenone and 40-methylacetophenone
- Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
- Joback Method
- McGowan Method
- NIST Webbook
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