- InChI
- InChI=1S/C11H14O4/c1-7(12)11-9(14-3)5-8(13-2)6-10(11)15-4/h5-6H,1-4H3
- InChI Key
- KPZWHZSIXZXDMW-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- COc1cc(OC)c(C(C)=O)c(OC)c1
- Molecular Weight1
- 210.23
- CAS
- 832-58-6
- Other Names
-
- 2',4',6'-Trimethoxyacetophenone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -318.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -577.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.32 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 1.915 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 2561.10 | kPa | Joback Calculated Property |
| Tboil | 613.83 | K | Joback Calculated Property |
| Tc | 821.66 | K | Joback Calculated Property |
| Tfus | 394.33 | K | Joback Calculated Property |
| Vc | 0.604 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.23; 464.40] | J/mol×K | [613.83; 821.66] | 
|
| Cp,gas | 394.23 | J/mol×K | 613.83 | Joback Calculated Property |
| Cp,gas | 407.53 | J/mol×K | 648.47 | Joback Calculated Property |
| Cp,gas | 420.23 | J/mol×K | 683.11 | Joback Calculated Property |
| Cp,gas | 432.28 | J/mol×K | 717.75 | Joback Calculated Property |
| Cp,gas | 443.68 | J/mol×K | 752.39 | Joback Calculated Property |
| Cp,gas | 454.40 | J/mol×K | 787.02 | Joback Calculated Property |
| Cp,gas | 464.40 | J/mol×K | 821.66 | Joback Calculated Property |
| η | [0.0001235; 0.0006543] | Pa×s | [394.33; 613.83] |
|
| η | 0.0006543 | Pa×s | 394.33 | Joback Calculated Property |
| η | 0.0004404 | Pa×s | 430.91 | Joback Calculated Property |
| η | 0.0003154 | Pa×s | 467.50 | Joback Calculated Property |
| η | 0.0002371 | Pa×s | 504.08 | Joback Calculated Property |
| η | 0.0001853 | Pa×s | 540.66 | Joback Calculated Property |
| η | 0.0001494 | Pa×s | 577.25 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 613.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Trimethoxyacetophenone.
Sources
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