- InChI
- InChI=1S/C10H12O4/c1-13-8-5-3-4-7(6-9(11)12)10(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
- InChI Key
- UZULEJNWMHZSGY-UHFFFAOYSA-N
- Formula
- C10H12O4
- SMILES
- COc1cccc(CC(=O)O)c1OC
- Molecular Weight1
- 196.20
- CAS
- 90-53-9
- Other Names
-
- Acetic acid, (2,3-dimethoxyphenyl)-
- Benzeneacetic acid, 2,3-dimethoxy-
- 2,3-Dimethoxyphenylacetic acid
- ω : Acentric Factor.
- 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).
- 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).
- 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 | 0.7977 | Relay (1.0) Calculated Property | |
| ΔfG° | -349.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.331 | Crippen Calculated Property | |
| McVol | 147.180 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Tboil | 580.19 | K | Relay (1.0) Calculated Property |
| Tc | 800.27 | K | Relay (1.0) Calculated Property |
| Tfus | 391.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.527 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.72; 428.23] | J/mol×K | [655.73; 854.45] | 
|
| Cp,gas | 372.72 | J/mol×K | 655.73 | Joback Calculated Property |
| Cp,gas | 383.42 | J/mol×K | 688.85 | Joback Calculated Property |
| Cp,gas | 393.54 | J/mol×K | 721.97 | Joback Calculated Property |
| Cp,gas | 403.09 | J/mol×K | 755.09 | Joback Calculated Property |
| Cp,gas | 412.05 | J/mol×K | 788.21 | Joback Calculated Property |
| Cp,gas | 420.44 | J/mol×K | 821.33 | Joback Calculated Property |
| Cp,gas | 428.23 | J/mol×K | 854.45 | Joback Calculated Property |
| η | [0.0000485; 0.0010962] | Pa×s | [409.13; 655.73] |
|
| η | 0.0010962 | Pa×s | 409.13 | Joback Calculated Property |
| η | 0.0005142 | Pa×s | 450.23 | Joback Calculated Property |
| η | 0.0002737 | Pa×s | 491.33 | Joback Calculated Property |
| η | 0.0001606 | Pa×s | 532.43 | Joback Calculated Property |
| η | 0.0001017 | Pa×s | 573.53 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 614.63 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 655.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Homoveratric acid.
Sources
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