- InChI
- InChI=1S/C16H16O2/c1-11-5-4-6-14(8-11)16(17)18-15-9-12(2)7-13(3)10-15/h4-10H,1-3H3
- InChI Key
- KOXGVGQBHWUCCS-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
-
Cc1cc(C)cc(OC(=O)c2cccc(C)c2)c
1 - Molecular Weight1
- 240.30
- Other Names
-
- m-Toluylic acid, 3,5-dimethylphenyl ester
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6864 | Relay (1.0) Calculated Property | |
| ΔfG° | -30.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -249.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.831 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2200.01 | kPa | Joback Calculated Property |
| Inp | [1954.00; 1954.00] |
|
|
| Inp | 1954.00 | NIST | |
| Inp | 1954.00 | NIST | |
| Tboil | 605.03 | K | Relay (1.0) Calculated Property |
| Tc | 866.90 | K | Relay (1.0) Calculated Property |
| Tfus | 314.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.731 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.72; 590.03] | J/mol×K | [692.20; 925.98] |
|
| Cp,gas | 511.72 | J/mol×K | 692.20 | Joback Calculated Property |
| Cp,gas | 527.68 | J/mol×K | 731.16 | Joback Calculated Property |
| Cp,gas | 542.42 | J/mol×K | 770.13 | Joback Calculated Property |
| Cp,gas | 555.99 | J/mol×K | 809.09 | Joback Calculated Property |
| Cp,gas | 568.43 | J/mol×K | 848.05 | Joback Calculated Property |
| Cp,gas | 579.76 | J/mol×K | 887.02 | Joback Calculated Property |
| Cp,gas | 590.03 | J/mol×K | 925.98 | Joback Calculated Property |
| η | [0.0001079; 0.0009735] | Pa×s | [402.81; 692.20] |
|
| η | 0.0009735 | Pa×s | 402.81 | Joback Calculated Property |
| η | 0.0005545 | Pa×s | 451.04 | Joback Calculated Property |
| η | 0.0003522 | Pa×s | 499.27 | Joback Calculated Property |
| η | 0.0002423 | Pa×s | 547.50 | Joback Calculated Property |
| η | 0.0001771 | Pa×s | 595.74 | Joback Calculated Property |
| η | 0.0001357 | Pa×s | 643.97 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 692.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Toluic acid, 3,5-dimethylphenyl ester.
Sources
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