- InChI
- InChI=1S/C15H14O3/c1-11-4-3-5-12(10-11)15(16)18-14-8-6-13(17-2)7-9-14/h3-10H,1-2H3
- InChI Key
- UTKWAVFSJORPPC-UHFFFAOYSA-N
- Formula
- C15H14O3
- SMILES
- COc1ccc(OC(=O)c2cccc(C)c2)cc1
- Molecular Weight1
- 242.27
- Other Names
-
- m-Toluylic acid, 4-methoxyphenyl 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° | -57.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -279.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.223 | Crippen Calculated Property | |
| McVol | 188.000 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Inp | [2007.00; 2007.00] |
|
|
| Inp | 2007.00 | NIST | |
| Inp | 2007.00 | NIST | |
| Tboil | 704.63 | K | Joback Calculated Property |
| Tc | 940.44 | K | Joback Calculated Property |
| Tfus | 431.08 | K | Joback Calculated Property |
| Vc | 0.702 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [490.58; 563.72] | J/mol×K | [704.63; 940.44] |
|
| Cp,gas | 490.58 | J/mol×K | 704.63 | Joback Calculated Property |
| Cp,gas | 505.56 | J/mol×K | 743.93 | Joback Calculated Property |
| Cp,gas | 519.39 | J/mol×K | 783.23 | Joback Calculated Property |
| Cp,gas | 532.11 | J/mol×K | 822.53 | Joback Calculated Property |
| Cp,gas | 543.73 | J/mol×K | 861.83 | Joback Calculated Property |
| Cp,gas | 554.26 | J/mol×K | 901.14 | Joback Calculated Property |
| Cp,gas | 563.72 | J/mol×K | 940.44 | Joback Calculated Property |
| η | [0.0001063; 0.0007551] | Pa×s | [431.08; 704.63] |
|
| η | 0.0007551 | Pa×s | 431.08 | Joback Calculated Property |
| η | 0.0004658 | Pa×s | 476.67 | Joback Calculated Property |
| η | 0.0003126 | Pa×s | 522.26 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 567.86 | Joback Calculated Property |
| η | 0.0001682 | Pa×s | 613.45 | Joback Calculated Property |
| η | 0.0001316 | Pa×s | 659.04 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 704.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Toluic acid, 4-methoxyphenyl ester.
Sources
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