- InChI
- InChI=1S/C16H16O2/c1-11-4-6-14(7-5-11)16(17)18-15-9-12(2)8-13(3)10-15/h4-10H,1-3H3
- InChI Key
- UDYNJQBTHMSEBU-UHFFFAOYSA-N
- Formula
- C16H16O2
- SMILES
-
Cc1ccc(C(=O)Oc2cc(C)cc(C)c2)cc
1 - Molecular Weight1
- 240.30
- Other Names
-
- p-Toluylic acid, 3,5-dimethylphenyl 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° | 45.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.90 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 3.831 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2287.14 | kPa | Joback Calculated Property |
| Inp | [1975.00; 1975.00] |
|
|
| Inp | 1975.00 | NIST | |
| Inp | 1975.00 | NIST | |
| Tboil | 710.07 | K | Joback Calculated Property |
| Tc | 945.48 | K | Joback Calculated Property |
| Tfus | 432.64 | K | Joback Calculated Property |
| Vc | 0.740 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [516.08; 593.49] | J/mol×K | [710.07; 945.48] |
|
| Cp,gas | 516.08 | J/mol×K | 710.07 | Joback Calculated Property |
| Cp,gas | 531.74 | J/mol×K | 749.31 | Joback Calculated Property |
| Cp,gas | 546.25 | J/mol×K | 788.54 | Joback Calculated Property |
| Cp,gas | 559.64 | J/mol×K | 827.78 | Joback Calculated Property |
| Cp,gas | 571.96 | J/mol×K | 867.01 | Joback Calculated Property |
| Cp,gas | 583.23 | J/mol×K | 906.25 | Joback Calculated Property |
| Cp,gas | 593.49 | J/mol×K | 945.48 | Joback Calculated Property |
| η | [0.0001219; 0.0008112] | Pa×s | [432.64; 710.07] |
|
| η | 0.0008112 | Pa×s | 432.64 | Joback Calculated Property |
| η | 0.0005079 | Pa×s | 478.88 | Joback Calculated Property |
| η | 0.0003453 | Pa×s | 525.12 | Joback Calculated Property |
| η | 0.0002499 | Pa×s | 571.36 | Joback Calculated Property |
| η | 0.0001898 | Pa×s | 617.59 | Joback Calculated Property |
| η | 0.0001498 | Pa×s | 663.83 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 710.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 3,5-dimethylphenyl ester.
Sources
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