- InChI
- InChI=1S/C15H14O2/c1-11-6-5-8-13(10-11)17-15(16)14-9-4-3-7-12(14)2/h3-10H,1-2H3
- InChI Key
- WKVAUJBXIARDOE-UHFFFAOYSA-N
- Formula
- C15H14O2
- SMILES
- Cc1cccc(OC(=O)c2ccccc2C)c1
- Molecular Weight1
- 226.27
- Other Names
-
- o-Toluylic acid, 3-methylphenyl ester
- 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).
- Inp : Non-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° | 47.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -147.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.02 | kJ/mol | Joback Calculated Property |
| log10WS | -4.51 | Crippen Calculated Property | |
| logPoct/wat | 3.523 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2550.76 | kPa | Joback Calculated Property |
| Inp | [1808.00; 1808.00] |
|
|
| Inp | 1808.00 | NIST | |
| Inp | 1808.00 | NIST | |
| Tboil | 682.21 | K | Joback Calculated Property |
| Tc | 921.60 | K | Joback Calculated Property |
| Tfus | 408.85 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [464.87; 540.68] | J/mol×K | [682.21; 921.60] |
|
| Cp,gas | 464.87 | J/mol×K | 682.21 | Joback Calculated Property |
| Cp,gas | 480.27 | J/mol×K | 722.11 | Joback Calculated Property |
| Cp,gas | 494.51 | J/mol×K | 762.01 | Joback Calculated Property |
| Cp,gas | 507.64 | J/mol×K | 801.91 | Joback Calculated Property |
| Cp,gas | 519.68 | J/mol×K | 841.80 | Joback Calculated Property |
| Cp,gas | 530.68 | J/mol×K | 881.70 | Joback Calculated Property |
| Cp,gas | 540.68 | J/mol×K | 921.60 | Joback Calculated Property |
| η | [0.0001351; 0.0010130] | Pa×s | [408.85; 682.21] |
|
| η | 0.0010130 | Pa×s | 408.85 | Joback Calculated Property |
| η | 0.0006119 | Pa×s | 454.41 | Joback Calculated Property |
| η | 0.0004052 | Pa×s | 499.97 | Joback Calculated Property |
| η | 0.0002874 | Pa×s | 545.53 | Joback Calculated Property |
| η | 0.0002150 | Pa×s | 591.09 | Joback Calculated Property |
| η | 0.0001676 | Pa×s | 636.65 | Joback Calculated Property |
| η | 0.0001351 | Pa×s | 682.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Toluic acid, 3-methylphenyl ester.
Sources
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