- InChI
- InChI=1S/C11H14O5/c1-14-8-4-7(6-10(12)13)5-9(15-2)11(8)16-3/h4-5H,6H2,1-3H3,(H,12,13)
- InChI Key
- DDSJXCGGOXKGSJ-UHFFFAOYSA-N
- Formula
- C11H14O5
- SMILES
- COc1cc(CC(=O)O)cc(OC)c1OC
- Molecular Weight1
- 226.23
- CAS
- 951-82-6
- Other Names
-
- Benzeneacetic acid, 3,4,5-trimethoxy-
- 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° | -455.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.00 | kJ/mol | Joback Calculated Property |
| log10WS | -1.73 | Crippen Calculated Property | |
| logPoct/wat | 1.339 | Crippen Calculated Property | |
| McVol | 167.140 | ml/mol | McGowan Calculated Property |
| Pc | 2817.33 | kPa | Joback Calculated Property |
| Tboil | 706.01 | K | Joback Calculated Property |
| Tc | 902.24 | K | Joback Calculated Property |
| Tfus | 455.15 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.85; 503.19] | J/mol×K | [706.01; 902.24] | 
|
| Cp,gas | 445.85 | J/mol×K | 706.01 | Joback Calculated Property |
| Cp,gas | 457.02 | J/mol×K | 738.72 | Joback Calculated Property |
| Cp,gas | 467.57 | J/mol×K | 771.42 | Joback Calculated Property |
| Cp,gas | 477.48 | J/mol×K | 804.13 | Joback Calculated Property |
| Cp,gas | 486.74 | J/mol×K | 836.83 | Joback Calculated Property |
| Cp,gas | 495.31 | J/mol×K | 869.54 | Joback Calculated Property |
| Cp,gas | 503.19 | J/mol×K | 902.24 | Joback Calculated Property |
| η | [0.0000299; 0.0004806] | Pa×s | [455.15; 706.01] |
|
| η | 0.0004806 | Pa×s | 455.15 | Joback Calculated Property |
| η | 0.0002490 | Pa×s | 496.96 | Joback Calculated Property |
| η | 0.0001428 | Pa×s | 538.77 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 580.58 | Joback Calculated Property |
| η | 0.0000588 | Pa×s | 622.39 | Joback Calculated Property |
| η | 0.0000410 | Pa×s | 664.20 | Joback Calculated Property |
| η | 0.0000299 | Pa×s | 706.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4,5-Trimethoxyphenylacetic acid.
Sources
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