- InChI
- InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChI Key
- VRGCYEIGVVTZCC-UHFFFAOYSA-N
- Formula
- C6Cl4O2
- SMILES
- O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl
- Molecular Weight1
- 245.88
- CAS
- 2435-53-2
- Other Names
-
- 3,5-Cyclohexadiene-1,2-dione, 3,4,5,6-tetrachloro-
- o-Benzoquinone, 3,4,5,6-tetrachloro-
- o-Chloranil
- o-Chloroanil
- Isochloranil
- Tetrachloro-o-quinone
- Tetrachloro-1,2-benzoquinone
- 3,4,5,6-Tetrachloro-o-benzoquinone
- 3,4,5,6-Tetrachloro-1,2-benzoquinone
- 3,4,5,6-Tetrachloro-3,5-cyclohexadiene-1,2-dione
- ortho-Chloranil
- NSC 403503
- 2-Chloranil
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -239.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.09 | Crippen Calculated Property | |
| logPoct/wat | 2.517 | Crippen Calculated Property | |
| McVol | 128.040 | ml/mol | McGowan Calculated Property |
| Pc | 3801.00 | kPa | Joback Calculated Property |
| Tboil | 664.50 | K | Joback Calculated Property |
| Tc | 935.65 | K | Joback Calculated Property |
| Tfus | 476.72 | K | Joback Calculated Property |
| Vc | 0.487 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.43; 260.45] | J/mol×K | [664.50; 935.65] | 
|
| Cp,gas | 226.43 | J/mol×K | 664.50 | Joback Calculated Property |
| Cp,gas | 233.75 | J/mol×K | 709.69 | Joback Calculated Property |
| Cp,gas | 240.55 | J/mol×K | 754.88 | Joback Calculated Property |
| Cp,gas | 246.72 | J/mol×K | 800.07 | Joback Calculated Property |
| Cp,gas | 252.16 | J/mol×K | 845.26 | Joback Calculated Property |
| Cp,gas | 256.77 | J/mol×K | 890.46 | Joback Calculated Property |
| Cp,gas | 260.45 | J/mol×K | 935.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Tetrachloro-o-benzoquinone.
Sources
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