- InChI
- InChI=1S/C8H6Cl2O2/c1-3-5(9)8(12)4(2)6(10)7(3)11/h1-2H3
- InChI Key
- VCJSHLWROQUHPY-UHFFFAOYSA-N
- Formula
- C8H6Cl2O2
- SMILES
- CC1=C(Cl)C(=O)C(C)=C(Cl)C1=O
- Molecular Weight1
- 205.04
- CAS
- 46010-98-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- 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 |
|---|---|---|---|
| EA | 2.23 ± 0.05 | eV | NIST |
| ΔfG° | -199.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.64 | kJ/mol | Joback Calculated Property |
| log10WS | -2.63 | Crippen Calculated Property | |
| logPoct/wat | 2.164 | Crippen Calculated Property | |
| McVol | 131.740 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 635.40 | K | Joback Calculated Property |
| Tc | 888.85 | K | Joback Calculated Property |
| Tfus | 439.42 | K | Joback Calculated Property |
| Vc | 0.501 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.02; 336.20] | J/mol×K | [635.40; 888.85] | 
|
| Cp,gas | 280.02 | J/mol×K | 635.40 | Joback Calculated Property |
| Cp,gas | 291.15 | J/mol×K | 677.64 | Joback Calculated Property |
| Cp,gas | 301.68 | J/mol×K | 719.88 | Joback Calculated Property |
| Cp,gas | 311.53 | J/mol×K | 762.13 | Joback Calculated Property |
| Cp,gas | 320.62 | J/mol×K | 804.37 | Joback Calculated Property |
| Cp,gas | 328.87 | J/mol×K | 846.61 | Joback Calculated Property |
| Cp,gas | 336.20 | J/mol×K | 888.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-diCl-3,6-diMe-p-benzoquinone radical.
Sources
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