- InChI
- InChI=1S/C11H14O/c1-7-5-8(2)11(10(4)12)9(3)6-7/h5-6H,1-4H3
- InChI Key
- XWCIICLTKWRWCI-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CC(=O)c1c(C)cc(C)cc1C
- Molecular Weight1
- 162.23
- CAS
- 1667-01-2
- Other Names
-
- Acetophenone, 2',4',6'-trimethyl-
- Acetomesitylene
- Mesityl methyl ketone
- Methyl 2,4,6-trimethylphenyl ketone
- 2',4',6'-Trimethylacetophenone
- 1-(2,4,6-Trimethylphenyl)-ethanone
- 2,4,6-Trimethyl-acetophenone
- Acetylmesitylene
- 1,3,5-Trimethyl-2-acetylbenzene
- 1-(2,4,6-Trimethylphenyl)-1-ethanone
- 1-Acetyl-2,4,6-trimethylbenzene
- Methyl mesityl ketone
- NSC 65636
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- 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 | 0.5083 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6062.20 ± 2.90 | kJ/mol | NIST |
| EA | 0.49 ± 0.04 | eV | NIST |
| ΔfG° | -3.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -205.00 ± 4.20 | kJ/mol | NIST |
| ΔfH°liquid | -267.00 ± 3.00 | kJ/mol | NIST |
| ΔfusH° | 18.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [62.00; 62.30] | kJ/mol |
|
| ΔvapH° | 62.30 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | 62.00 | kJ/mol | NIST |
| IE | [8.20; 8.50] | eV |
|
| IE | 8.20 | eV | NIST |
| IE | 8.50 | eV | NIST |
| log10WS | -2.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.814 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2698.60 | kPa | Joback Calculated Property |
| Tboil | 508.70 | K | NIST |
| Tc | 746.05 | K | Relay (1.0) Calculated Property |
| Tfus | 291.61 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 513.20 | K | 98.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [190.15; 448.20] | 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 | 9.24000e+00 | |||
| Coefficient B | 7.63480e-01 | |||
| Coefficient C | -3.85980e-04 | |||
| Coefficient D | 6.14600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 190.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 233.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 273.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 308.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 340.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 368.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 392.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 414.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 432.64 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 448.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0013575; 0.0002402] | Pa×s | [327.64; 533.14] |
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 | -1.10950e+01 | |||
| Coefficient B | 1.47203e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 327.64 | |||
| Temperature range, max. | 533.14 | |||
| η | 0.0013575 | Pa×s | 327.64 | Calculated Property |
| η | 0.0010130 | Pa×s | 350.47 | Calculated Property |
| η | 0.0007835 | Pa×s | 373.31 | Calculated Property |
| η | 0.0006242 | Pa×s | 396.14 | Calculated Property |
| η | 0.0005098 | Pa×s | 418.97 | Calculated Property |
| η | 0.0004251 | Pa×s | 441.81 | Calculated Property |
| η | 0.0003609 | Pa×s | 464.64 | Calculated Property |
| η | 0.0003111 | Pa×s | 487.47 | Calculated Property |
| η | 0.0002718 | Pa×s | 510.31 | Calculated Property |
| η | 0.0002402 | Pa×s | 533.14 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,4,6-trimethylphenyl)-.
Sources
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