- InChI
- InChI=1S/C11H14O/c1-7-5-9(3)11(10(4)12)6-8(7)2/h5-6H,1-4H3
- InChI Key
- GENBEGZNCBFHSU-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CC(=O)c1cc(C)c(C)cc1C
- Molecular Weight1
- 162.23
- CAS
- 2040-07-5
- Other Names
-
- Acetophenone, 2',4',5'-trimethyl-
- 2',4',5'-Trimethylacetophenone
- 1-(2,4,5-Trimethylphenyl)-ethanone
- 2,4,5-Trimethyl-acetophenone
- 1-(2,4,5-trimethylphenyl)ethan-1-one
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -6077.30 ± 4.20 | kJ/mol | NIST |
| ΔfG° | -3.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.00 ± 5.00 | kJ/mol | NIST |
| ΔfH°liquid | -252.00 ± 4.60 | kJ/mol | NIST |
| ΔfusH° | 18.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [63.00; 63.20] | kJ/mol |
|
| ΔvapH° | 63.20 ± 2.10 | kJ/mol | NIST |
| ΔvapH° | 63.00 | kJ/mol | NIST |
| log10WS | -3.56 | Crippen 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 | 519.70 | K | NIST |
| Tc | 761.35 | K | Joback Calculated Property |
| Tfus | 327.64 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.26; 393.90] | J/mol×K | [546.57; 761.35] |
|
| Cp,gas | 321.26 | J/mol×K | 546.57 | Joback Calculated Property |
| Cp,gas | 335.10 | J/mol×K | 582.37 | Joback Calculated Property |
| Cp,gas | 348.22 | J/mol×K | 618.16 | Joback Calculated Property |
| Cp,gas | 360.64 | J/mol×K | 653.96 | Joback Calculated Property |
| Cp,gas | 372.39 | J/mol×K | 689.76 | Joback Calculated Property |
| Cp,gas | 383.47 | J/mol×K | 725.55 | Joback Calculated Property |
| Cp,gas | 393.90 | J/mol×K | 761.35 | Joback Calculated Property |
| η | [0.0002245; 0.0013575] | Pa×s | [327.64; 546.57] |
|
| η | 0.0013575 | Pa×s | 327.64 | Joback Calculated Property |
| η | 0.0008654 | Pa×s | 364.13 | Joback Calculated Property |
| η | 0.0005988 | Pa×s | 400.62 | Joback Calculated Property |
| η | 0.0004406 | Pa×s | 437.10 | Joback Calculated Property |
| η | 0.0003399 | Pa×s | 473.59 | Joback Calculated Property |
| η | 0.0002722 | Pa×s | 510.08 | Joback Calculated Property |
| η | 0.0002245 | Pa×s | 546.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,4,5-trimethylphenyl)-.
Sources
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