- InChI
- InChI=1S/C7H5ClO2/c1-4-2-7(10)5(8)3-6(4)9/h2-3H,1H3
- InChI Key
- BIUBEGIHROOPTQ-UHFFFAOYSA-N
- Formula
- C7H5ClO2
- SMILES
- CC1=CC(=O)C(Cl)=CC1=O
- Molecular Weight1
- 156.57
- CAS
- 19832-87-2
- 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 | 2.11 ± 0.05 | eV | NIST |
| ΔfG° | -176.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.70 | kJ/mol | Joback Calculated Property |
| log10WS | -1.56 | Crippen Calculated Property | |
| logPoct/wat | 1.207 | Crippen Calculated Property | |
| McVol | 105.410 | ml/mol | McGowan Calculated Property |
| Pc | 4021.02 | kPa | Joback Calculated Property |
| Tboil | 565.13 | K | Joback Calculated Property |
| Tc | 819.03 | K | Joback Calculated Property |
| Tfus | 373.19 | K | Joback Calculated Property |
| Vc | 0.397 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.82; 273.18] | J/mol×K | [565.13; 819.03] | 
|
| Cp,gas | 215.82 | J/mol×K | 565.13 | Joback Calculated Property |
| Cp,gas | 226.83 | J/mol×K | 607.45 | Joback Calculated Property |
| Cp,gas | 237.35 | J/mol×K | 649.76 | Joback Calculated Property |
| Cp,gas | 247.31 | J/mol×K | 692.08 | Joback Calculated Property |
| Cp,gas | 256.65 | J/mol×K | 734.40 | Joback Calculated Property |
| Cp,gas | 265.30 | J/mol×K | 776.71 | Joback Calculated Property |
| Cp,gas | 273.18 | J/mol×K | 819.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Cl-5-Me-p-benzoquinone radical.
Sources
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