- InChI
- InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
- InChI Key
- CEAVPXDEPGAVDA-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- COc1cc(C(=O)O)ccc1C
- Molecular Weight1
- 166.17
- CAS
- 7151-68-0
- Other Names
-
- 3-Methoxy-4-methylbenzoic acid
- 3-Methoxy-p-toluic acid
- 4-methyl-m-anisic 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 | 0.7351 | Relay (... Calculated Property | |
| ΔfG° | -252.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.54 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.81 | eV | Relay (... Calculated Property |
| log10WS | -2.27 | Relay (... Calculated Property | |
| logPoct/wat | 1.702 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3704.46 | kPa | Joback Calculated Property |
| Tboil | 561.89 | K | Relay (... Calculated Property |
| Tc | 779.17 | K | Relay (... Calculated Property |
| Tfus | 431.05 | K | Relay (... Calculated Property |
| Vc | 0.458 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.85; 353.71] | J/mol×K | [610.43; 813.59] | 
|
| Cp,gas | 301.85 | J/mol×K | 610.43 | Joback Calculated Property |
| Cp,gas | 311.80 | J/mol×K | 644.29 | Joback Calculated Property |
| Cp,gas | 321.22 | J/mol×K | 678.15 | Joback Calculated Property |
| Cp,gas | 330.11 | J/mol×K | 712.01 | Joback Calculated Property |
| Cp,gas | 338.49 | J/mol×K | 745.87 | Joback Calculated Property |
| Cp,gas | 346.35 | J/mol×K | 779.73 | Joback Calculated Property |
| Cp,gas | 353.71 | J/mol×K | 813.59 | Joback Calculated Property |
| η | [0.0000759; 0.0019634] | Pa×s | [375.63; 610.43] |
|
| η | 0.0019634 | Pa×s | 375.63 | Joback Calculated Property |
| η | 0.0008840 | Pa×s | 414.76 | Joback Calculated Property |
| η | 0.0004568 | Pa×s | 453.90 | Joback Calculated Property |
| η | 0.0002621 | Pa×s | 493.03 | Joback Calculated Property |
| η | 0.0001632 | Pa×s | 532.16 | Joback Calculated Property |
| η | 0.0001084 | Pa×s | 571.30 | Joback Calculated Property |
| η | 0.0000759 | Pa×s | 610.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-methoxy-4-methyl-.
Sources
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