- InChI
- InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
- InChI Key
- KZCBXHSWMMIEQU-UHFFFAOYSA-N
- Formula
- C8H2Cl4O4
- SMILES
-
O=C(O)c1c(Cl)c(Cl)c(C(=O)O)c(C
l)c1Cl - Molecular Weight1
- 303.91
- Other Names
-
- Terephthalic acid, tetrachloro-
- Tetrachloroterephthalic acid
- 2,3,5,6-Tetrachloroterephthalic acid
- Dacthal diacid
- TCTP (terephthalic acid, tetrachloro)
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 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 | -687.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.65 | kJ/mol | Joback Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.697 | Crippen Calculated Property | |
| McVol | 163.660 | ml/mol | McGowan Calculated Property |
| Inp | [1941.00; 1941.00] |
|
|
| Inp | 1941.00 | NIST | |
| Inp | 1941.00 | NIST | |
| Ip | [2820.00; 2820.00] |
|
|
| Ip | 2820.00 | NIST | |
| Ip | 2820.00 | NIST | |
| Tboil | 594.31 | K | Relay (1.0) Calculated Property |
| Tfus | 536.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [211.55; 352.97] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 9.39700e+01 | |||
| Coefficient B | 5.16200e-01 | |||
| Coefficient C | -3.34200e-04 | |||
| Coefficient D | 7.70000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 211.55 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 261.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 281.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 299.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 314.14 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 326.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 337.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 345.89 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 352.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0003009; 0.0001970] | Pa×s | [709.82; 787.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.24253e+01 | |||
| Coefficient B | 3.06400e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 709.82 | |||
| Temperature range, max. | 787.04 | |||
| η | 0.0003009 | Pa×s | 709.82 | Calculated Property |
| η | 0.0002858 | Pa×s | 718.40 | Calculated Property |
| η | 0.0002718 | Pa×s | 726.98 | Calculated Property |
| η | 0.0002587 | Pa×s | 735.56 | Calculated Property |
| η | 0.0002466 | Pa×s | 744.14 | Calculated Property |
| η | 0.0002353 | Pa×s | 752.72 | Calculated Property |
| η | 0.0002247 | Pa×s | 761.30 | Calculated Property |
| η | 0.0002149 | Pa×s | 769.88 | Calculated Property |
| η | 0.0002057 | Pa×s | 778.46 | Calculated Property |
| η | 0.0001970 | Pa×s | 787.04 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-.
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
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