- InChI
- InChI=1S/C14H10Cl2O2/c1-9-2-5-11(6-3-9)18-14(17)10-4-7-12(15)13(16)8-10/h2-8H,1H3
- InChI Key
- JOGOAHIJEXORJI-UHFFFAOYSA-N
- Formula
- C14H10Cl2O2
- SMILES
-
Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)
cc1 - Molecular Weight1
- 281.13
- CAS
- 92153-13-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -258.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.521 | Crippen Calculated Property | |
| McVol | 192.520 | ml/mol | McGowan Calculated Property |
| Tboil | 621.01 | K | Relay (1.0) Calculated Property |
| Tfus | 342.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.29; 515.51] | J/mol×K | [721.30; 969.89] | 
|
| Cp,gas | 457.29 | J/mol×K | 721.30 | Joback Calculated Property |
| Cp,gas | 469.72 | J/mol×K | 762.73 | Joback Calculated Property |
| Cp,gas | 481.01 | J/mol×K | 804.16 | Joback Calculated Property |
| Cp,gas | 491.20 | J/mol×K | 845.60 | Joback Calculated Property |
| Cp,gas | 500.31 | J/mol×K | 887.03 | Joback Calculated Property |
| Cp,gas | 508.41 | J/mol×K | 928.46 | Joback Calculated Property |
| Cp,gas | 515.51 | J/mol×K | 969.89 | Joback Calculated Property |
| η | [0.0001142; 0.0008562] | Pa×s | [440.11; 721.30] |
|
| η | 0.0008562 | Pa×s | 440.11 | Joback Calculated Property |
| η | 0.0005207 | Pa×s | 486.98 | Joback Calculated Property |
| η | 0.0003456 | Pa×s | 533.84 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 580.70 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 627.57 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 674.43 | Joback Calculated Property |
| η | 0.0001142 | Pa×s | 721.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichlorobenzoic acid,4-tolyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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