- InChI
- InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3
- InChI Key
- UMYZWICEDUEWIM-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- COc1ccc(CC(C)=O)cc1OC
- Molecular Weight1
- 194.23
- CAS
- 776-99-8
- Other Names
-
- Veratryl acetone
- 2-Propanone, 1-(3,4-dimethoxyphenyl)-
- 3,4-Dimethoxybenzyl methyl ketone
- 1-(3,4-Dimethoxyphenyl)-2-propanone
- Veratryl-2-propanone
- 1-(3,4-dimethoxyphenyl)acetone
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -204.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.25 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 1.835 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| I | 2470.00 | NIST | |
| Tboil | 586.43 | K | Joback Calculated Property |
| Tc | 795.52 | K | Joback Calculated Property |
| Tfus | 359.58 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [370.29; 442.17] | J/mol×K | [586.43; 795.52] | 
|
| Cp,gas | 370.29 | J/mol×K | 586.43 | Joback Calculated Property |
| Cp,gas | 383.95 | J/mol×K | 621.28 | Joback Calculated Property |
| Cp,gas | 396.95 | J/mol×K | 656.13 | Joback Calculated Property |
| Cp,gas | 409.28 | J/mol×K | 690.97 | Joback Calculated Property |
| Cp,gas | 420.93 | J/mol×K | 725.82 | Joback Calculated Property |
| Cp,gas | 431.89 | J/mol×K | 760.67 | Joback Calculated Property |
| Cp,gas | 442.17 | J/mol×K | 795.52 | Joback Calculated Property |
| η | [0.0001558; 0.0010431] | Pa×s | [359.58; 586.43] |
|
| η | 0.0010431 | Pa×s | 359.58 | Joback Calculated Property |
| η | 0.0006535 | Pa×s | 397.39 | Joback Calculated Property |
| η | 0.0004440 | Pa×s | 435.20 | Joback Calculated Property |
| η | 0.0003209 | Pa×s | 473.00 | Joback Calculated Property |
| η | 0.0002434 | Pa×s | 510.81 | Joback Calculated Property |
| η | 0.0001918 | Pa×s | 548.62 | Joback Calculated Property |
| η | 0.0001558 | Pa×s | 586.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dimethoxyphenylacetone.
Sources
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