- InChI
- InChI=1S/C13H5Cl5O2/c14-7-3-1-6(2-4-7)13(19)20-12-9(16)5-8(15)10(17)11(12)18/h1-5H
- InChI Key
- CNOJGFZKPMMGQU-UHFFFAOYSA-N
- Formula
- C13H5Cl5O2
- SMILES
-
O=C(Oc1c(Cl)cc(Cl)c(Cl)c1Cl)c1
ccc(Cl)cc1 - Molecular Weight1
- 370.44
- 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° | -58.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.47 | kJ/mol | Joback Calculated Property |
| log10WS | -6.98 | Crippen Calculated Property | |
| logPoct/wat | 6.173 | Crippen Calculated Property | |
| McVol | 215.150 | ml/mol | McGowan Calculated Property |
| Pc | 2455.60 | kPa | Joback Calculated Property |
| Inp | 2542.00 | NIST | |
| Tboil | 838.54 | K | Joback Calculated Property |
| Tc | 1100.44 | K | Joback Calculated Property |
| Tfus | 573.47 | K | Joback Calculated Property |
| Vc | 0.817 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [462.03; 495.82] | J/mol×K | [838.54; 1100.44] | 
|
| Cp,gas | 462.03 | J/mol×K | 838.54 | Joback Calculated Property |
| Cp,gas | 469.93 | J/mol×K | 882.19 | Joback Calculated Property |
| Cp,gas | 476.89 | J/mol×K | 925.84 | Joback Calculated Property |
| Cp,gas | 482.94 | J/mol×K | 969.49 | Joback Calculated Property |
| Cp,gas | 488.09 | J/mol×K | 1013.14 | Joback Calculated Property |
| Cp,gas | 492.37 | J/mol×K | 1056.79 | Joback Calculated Property |
| Cp,gas | 495.82 | J/mol×K | 1100.44 | Joback Calculated Property |
| η | [0.0001057; 0.0004360] | Pa×s | [573.47; 838.54] |
|
| η | 0.0004360 | Pa×s | 573.47 | Joback Calculated Property |
| η | 0.0003164 | Pa×s | 617.65 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 661.83 | Joback Calculated Property |
| η | 0.0001880 | Pa×s | 706.01 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 750.18 | Joback Calculated Property |
| η | 0.0001254 | Pa×s | 794.36 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 838.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester.
Sources
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