- 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
- CAS
- 2136-79-0
- Other Names
-
- 1,4-Benzenedicarboxylic acid, 2,3,5,6-tetrachloro-
- Terephthalic acid, tetrachloro-
- Tetrachloroterephthalic acid
- 2,3,5,6-Tetrachloroterephthalic acid
- Dacthal diacid
- TCTP (terephthalic acid, tetrachloro)
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- I : 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 |
|---|---|---|---|
| ω | 0.9541 | Relay (1.0) Calculated Property | |
| ΔfG° | -498.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -687.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.697 | Crippen Calculated Property | |
| McVol | 163.660 | ml/mol | McGowan Calculated Property |
| Pc | 4067.32 | kPa | Joback Calculated Property |
| I | 2820.00 | NIST | |
| Tboil | 594.31 | K | Relay (1.0) Calculated Property |
| Tc | 956.90 | K | Relay (1.0) Calculated Property |
| Tfus | 526.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.579 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [335.90; 352.10] | J/mol×K | [875.84; 1095.11] | 
|
| Cp,gas | 335.90 | J/mol×K | 875.84 | Joback Calculated Property |
| Cp,gas | 339.59 | J/mol×K | 912.38 | Joback Calculated Property |
| Cp,gas | 342.87 | J/mol×K | 948.93 | Joback Calculated Property |
| Cp,gas | 345.75 | J/mol×K | 985.47 | Joback Calculated Property |
| Cp,gas | 348.25 | J/mol×K | 1022.02 | Joback Calculated Property |
| Cp,gas | 350.36 | J/mol×K | 1058.56 | Joback Calculated Property |
| Cp,gas | 352.10 | J/mol×K | 1095.11 | Joback Calculated Property |
| η | [0.0000071; 0.0001075] | Pa×s | [610.12; 875.84] |
|
| η | 0.0001075 | Pa×s | 610.12 | Joback Calculated Property |
| η | 0.0000587 | Pa×s | 654.41 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 698.69 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 742.98 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 787.27 | Joback Calculated Property |
| η | 0.0000099 | Pa×s | 831.55 | Joback Calculated Property |
| η | 0.0000071 | Pa×s | 875.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chlorthal.
Sources
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