- InChI
- InChI=1S/C14H10Cl2O2/c1-9-2-4-10(5-3-9)14(17)18-11-6-7-12(15)13(16)8-11/h2-8H,1H3
- InChI Key
- AVIKUTDZLPGICI-UHFFFAOYSA-N
- Formula
- C14H10Cl2O2
- SMILES
-
Cc1ccc(C(=O)Oc2ccc(Cl)c(Cl)c2)
cc1 - Molecular Weight1
- 281.13
- Other Names
-
- p-Toluylic acid, 3,4-dichlorophenyl 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° | 5.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -169.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.40 | Crippen Calculated Property | |
| logPoct/wat | 4.521 | Crippen Calculated Property | |
| McVol | 192.520 | ml/mol | McGowan Calculated Property |
| Pc | 2568.89 | kPa | Joback Calculated Property |
| Inp | [2150.00; 2150.00] |
|
|
| Inp | 2150.00 | NIST | |
| Inp | 2150.00 | NIST | |
| Tboil | 739.17 | K | Joback Calculated Property |
| Tc | 989.16 | K | Joback Calculated Property |
| Tfus | 469.94 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [459.79; 517.76] | J/mol×K | [739.17; 989.16] |
|
| Cp,gas | 459.79 | J/mol×K | 739.17 | Joback Calculated Property |
| Cp,gas | 472.01 | J/mol×K | 780.84 | Joback Calculated Property |
| Cp,gas | 483.16 | J/mol×K | 822.50 | Joback Calculated Property |
| Cp,gas | 493.27 | J/mol×K | 864.17 | Joback Calculated Property |
| Cp,gas | 502.38 | J/mol×K | 905.83 | Joback Calculated Property |
| Cp,gas | 510.53 | J/mol×K | 947.50 | Joback Calculated Property |
| Cp,gas | 517.76 | J/mol×K | 989.16 | Joback Calculated Property |
| η | [0.0001294; 0.0007416] | Pa×s | [469.94; 739.17] |
|
| η | 0.0007416 | Pa×s | 469.94 | Joback Calculated Property |
| η | 0.0004884 | Pa×s | 514.81 | Joback Calculated Property |
| η | 0.0003439 | Pa×s | 559.68 | Joback Calculated Property |
| η | 0.0002551 | Pa×s | 604.56 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 649.43 | Joback Calculated Property |
| η | 0.0001576 | Pa×s | 694.30 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 739.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to p-Toluic acid, 3,4-dichlorophenyl ester.
Sources
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