- 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 |
|---|---|---|---|---|
| Cp,gas | [233.67; 298.27] | J/mol×K | [491.05; 710.79] |
|
| Cp,gas | 233.67 | J/mol×K | 491.05 | Joback Calculated Property |
| Cp,gas | 246.18 | J/mol×K | 527.67 | Joback Calculated Property |
| Cp,gas | 257.96 | J/mol×K | 564.30 | Joback Calculated Property |
| Cp,gas | 269.03 | J/mol×K | 600.92 | Joback Calculated Property |
| Cp,gas | 279.42 | J/mol×K | 637.54 | Joback Calculated Property |
| Cp,gas | 289.16 | J/mol×K | 674.17 | Joback Calculated Property |
| Cp,gas | 298.27 | J/mol×K | 710.79 | Joback Calculated Property |
| η | [0.0002608; 0.0021873] | Pa×s | [280.06; 491.05] |
|
| η | 0.0021873 | Pa×s | 280.06 | Joback Calculated Property |
| η | 0.0012592 | Pa×s | 315.23 | Joback Calculated Property |
| η | 0.0008099 | Pa×s | 350.39 | Joback Calculated Property |
| η | 0.0005646 | Pa×s | 385.55 | Joback Calculated Property |
| η | 0.0004180 | Pa×s | 420.72 | Joback Calculated Property |
| η | 0.0003242 | Pa×s | 455.88 | Joback Calculated Property |
| η | 0.0002608 | Pa×s | 491.05 | Joback Calculated Property |
| ΔvapH | 58.90 | kJ/mol | 298.15 | Calorimetric study of 20-methylacetophenone and 40-methylacetophenone |
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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