- InChI
- InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H
- InChI Key
- JCARTGJGWCGSSU-UHFFFAOYSA-N
- Formula
- C6H2Cl2O2
- SMILES
- O=C1C=C(Cl)C(=O)C(Cl)=C1
- Molecular Weight1
- 176.99
- CAS
- 697-91-6
- Other Names
-
- 2,6-Dichloquinone
- 2,6-Dichloro-1,4-benzoquinone
- 2,6-Dichloro-2,5-cyclohexa-diene-1,4-dione
- 2,6-Dichloro-p-benzoquinone
- 2,6-Dichlorobenzoquinone
- 2,6-Dichloroquinone
- NSC 6211
- p-Benzoquinone, 2,6-dichloro-
- p-Quinone, 2,6-dichloro-
- ω : Acentric Factor.
- 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.3847 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-2449.70; -2422.00] | kJ/mol |
|
| ΔcH°solid | -2449.70 ± 8.40 | kJ/mol | NIST |
| ΔcH°solid | -2444.00 | kJ/mol | NIST |
| ΔcH°solid | -2422.00 | kJ/mol | NIST |
| EA | [2.48; 2.48] | eV |
|
| EA | 2.48 ± 0.06 | eV | NIST |
| EA | 2.48 ± 0.05 | eV | NIST |
| ΔfG° | -196.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -254.00 | kJ/mol | NIST |
| ΔfusH° | 11.14 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 69.90 ± 8.40 | kJ/mol | NIST |
| ΔvapH° | 70.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) 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 | 503.07 | K | Relay (1.0) Calculated Property |
| Tc | 746.54 | K | Relay (1.0) Calculated Property |
| Tfus | 441.84 | K | Relay (1.0) Calculated Property |
| Vc | 0.352 | m3/kmol | Relay (1.0) 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 |
| ΔsubH | 69.90 ± 8.30 | kJ/mol | 294.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [414.68; 548.29] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.09045e+01 | |||
| Coefficient B | -8.54951e+03 | |||
| Temperature range, min. | 414.68 | |||
| Temperature range, max. | 548.29 | |||
| Pvap | 1.33 | kPa | 414.68 | Calculated Property |
| Pvap | 2.72 | kPa | 429.53 | Calculated Property |
| Pvap | 5.29 | kPa | 444.37 | Calculated Property |
| Pvap | 9.84 | kPa | 459.22 | Calculated Property |
| Pvap | 17.64 | kPa | 474.06 | Calculated Property |
| Pvap | 30.49 | kPa | 488.91 | Calculated Property |
| Pvap | 51.05 | kPa | 503.75 | Calculated Property |
| Pvap | 82.99 | kPa | 518.60 | Calculated Property |
| Pvap | 131.30 | kPa | 533.44 | Calculated Property |
| Pvap | 202.64 | kPa | 548.29 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,6-dichloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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