- InChI
- InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3
- InChI Key
- FSPSELPMWGWDRY-UHFFFAOYSA-N
- Formula
- C9H10O
- SMILES
- CC(=O)c1cccc(C)c1
- Molecular Weight1
- 134.18
- Other Names
-
- 1-(3-Methylphenyl)-ethanone
- 3'-methylacetophenone
- 3-methylacetophenone
- Acetophenone, 3'-methyl-
- Acetophenone, m-methyl-
- m-Methylacetophenone
- methyl m-tolyl ketone
- ω : Acentric Factor.
- 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).
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4366 | Relay (1.0) Calculated Property | |
| PAff | 868.20 | kJ/mol | NIST |
| BasG | 836.40 | kJ/mol | NIST |
| ΔfG° | -1.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -135.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.85; 9.24] | eV |
|
| IE | 9.24 ± 0.02 | eV | NIST |
| IE | 8.85 | eV | NIST |
| IE | 9.15 ± 0.05 | eV | NIST |
| IE | 9.14 | eV | NIST |
| log10WS | -2.15 | 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 | [1132.00; 1192.00] |
|
|
| Inp | 1148.30 | NIST | |
| Inp | 1149.50 | NIST | |
| Inp | 1161.70 | NIST | |
| Inp | 1168.90 | NIST | |
| Inp | 1164.30 | NIST | |
| Inp | 1182.50 | NIST | |
| Inp | 1191.88 | NIST | |
| Inp | 1192.00 | NIST | |
| Inp | 1171.70 | NIST | |
| Inp | 1132.00 | NIST | |
| Inp | 1156.00 | NIST | |
| Inp | 1175.00 | NIST | |
| Inp | 1182.00 | NIST | |
| Inp | 1148.00 | NIST | |
| Inp | 1176.00 | NIST | |
| Inp | 1147.00 | NIST | |
| Inp | 1148.30 | NIST | |
| Ip | [1786.00; 1804.00] |
|
|
| Ip | 1804.00 | NIST | |
| Ip | 1786.00 | NIST | |
| Tboil | 493.20 | K | NIST |
| Tc | 714.83 | K | Relay (1.0) Calculated Property |
| Tfus | 264.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.431 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.20 | K | 1.60 | NIST |
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 | [0.0029471; 0.0002513] | Pa×s | [264.15; 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 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 264.15 | |||
| Temperature range, max. | 497.55 | |||
| η | 0.0029471 | Pa×s | 264.15 | Calculated Property |
| η | 0.0018435 | Pa×s | 290.08 | Calculated Property |
| η | 0.0012454 | Pa×s | 316.02 | Calculated Property |
| η | 0.0008930 | Pa×s | 341.95 | Calculated Property |
| η | 0.0006710 | Pa×s | 367.88 | Calculated Property |
| η | 0.0005236 | Pa×s | 393.82 | Calculated Property |
| η | 0.0004212 | Pa×s | 419.75 | Calculated Property |
| η | 0.0003476 | Pa×s | 445.68 | Calculated Property |
| η | 0.0002929 | Pa×s | 471.62 | Calculated Property |
| η | 0.0002513 | Pa×s | 497.55 | Calculated Property |
Similar Compounds
Find more compounds similar to ETHANONE, 1-(3-METHYLPHENYL)-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- 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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