- InChI
- InChI=1S/C6H2Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
- InChI Key
- LNXVNZRYYHFMEY-UHFFFAOYSA-N
- Formula
- C6H2Cl2O2
- SMILES
- O=C1C=C(Cl)C(=O)C=C1Cl
- Molecular Weight1
- 176.99
- CAS
- 615-93-0
- Other Names
-
- p-Benzoquinone, 2,5-dichloro-
- 2,5-Dichloro-p-benzoquinone
- 2,5-Dichloro-1,4-benzoquinone
- 2,5-Dichloro-2,5-cyclohexa-diene-1,4-dione
- 2,5-Dichoro-p-benzoquinone
- 2,5-Dichlorobenzoquinone
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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).
- 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 |
|---|---|---|---|
| ΔcH°solid | [-2448.90; -2443.00] | kJ/mol |
|
| ΔcH°solid | -2448.90 ± 8.40 | kJ/mol | NIST |
| ΔcH°solid | -2443.00 | kJ/mol | NIST |
| EA | [2.37; 2.44] | eV |
|
| EA | 2.44 ± 0.06 | eV | NIST |
| EA | 2.37 ± 0.05 | eV | NIST |
| ΔfG° | -196.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.77 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | -255.00 | kJ/mol | NIST |
| ΔfusH° | 11.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.86 | kJ/mol | Joback Calculated Property |
| IE | 10.24 ± 0.03 | eV | NIST |
| log10WS | -1.79 | Crippen Calculated Property | |
| logPoct/wat | 1.384 | Crippen Calculated Property | |
| McVol | 103.560 | ml/mol | McGowan Calculated Property |
| Pc | 4339.67 | kPa | Joback Calculated Property |
| Tboil | 579.68 | K | Joback Calculated Property |
| Tc | 843.27 | K | Joback Calculated Property |
| Tfus | 391.84 | K | Joback Calculated Property |
| Vc | 0.390 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [193.18; 239.18] | J/mol×K | [579.68; 843.27] |
|
| Cp,gas | 193.18 | J/mol×K | 579.68 | Joback Calculated Property |
| Cp,gas | 202.21 | J/mol×K | 623.61 | Joback Calculated Property |
| Cp,gas | 210.81 | J/mol×K | 667.54 | Joback Calculated Property |
| Cp,gas | 218.88 | J/mol×K | 711.47 | Joback Calculated Property |
| Cp,gas | 226.34 | J/mol×K | 755.40 | Joback Calculated Property |
| Cp,gas | 233.14 | J/mol×K | 799.34 | Joback Calculated Property |
| Cp,gas | 239.18 | J/mol×K | 843.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-.
Sources
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