- InChI
- InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
- InChI Key
- UGNWTBMOAKPKBL-UHFFFAOYSA-N
- Formula
- C6Cl4O2
- SMILES
- O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl
- Molecular Weight1
- 245.88
- CAS
- 118-75-2
- Other Names
-
- .alpha.-chloranil
- 1,2,4,5-tetrachlorobenzoquinone
- 1,4-Benzoquinone, 2,3,5,6-tetrachloro-
- 1,4-benzoquinone, tetrachloro-
- 2,3,5,6-tetrachloro-1,4-benzoquinone
- 2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dione
- 2,3,5,6-tetrachloro-p-benzoquinone
- 2,3,5,6-tetrachlorobenzoquinone
- 2,3,5,6-tetrachloroquinone
- 2,5-cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro-
- Coversan
- Dow Seed Disinfectant No. 5
- ENT 3,797
- ENT 3797
- G-25804
- G-444E
- Geigy-444e
- Khloranil
- NSC 8432
- Reranil
- Spergon
- Spergon I
- Spergon Technical
- Tetrachloroparabenzoquinone
- Tetrachlorquinone
- Vulklor
- chloranil
- p-chloranil
- psorisan
- quinone tetrachloride
- tetrachloro-1,4-benzoquinone
- tetrachloro-p-benzoquinone
- tetrachloro-p-quinone
- tetrachlorobenzoquinone
- tetrachloroquinone
- «alpha»-Chloranil
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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 a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | [-2171.10; -2156.00] | kJ/mol |
|
| ΔcH°solid | -2171.10 ± 8.40 | kJ/mol | NIST |
| ΔcH°solid | -2156.00 | kJ/mol | NIST |
| ΔcH°solid | -2166.00 | kJ/mol | NIST |
| EA | [2.45; 2.78] | eV |
|
| EA | 2.78 ± 0.10 | eV | NIST |
| EA | 2.75 ± 0.05 | eV | NIST |
| EA | 2.76 ± 0.20 | eV | NIST |
| EA | 2.45 ± 0.26 | eV | NIST |
| ΔfH°solid | -298.00 | kJ/mol | NIST |
| ΔfusH° | 18.76 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 98.74 | kJ/mol | NIST |
| IE | [9.74; 9.90] | eV |
|
| IE | 9.74 | eV | NIST |
| IE | 9.90 ± 0.05 | eV | NIST |
| logPoct/wat | 2.517 | Crippen Calculated Property | |
| McVol | 128.040 | ml/mol | McGowan Calculated Property |
| S°solid,1 bar | 258.40 | J/mol×K | NIST |
| Tfus | 568.13 ± 0.20 | K | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | 193.80 | J/mol×K | 298.15 | NIST |
| ΔfusH | [30.87; 30.87] | kJ/mol | [567.20; 567.20] |
|
| ΔfusH | 30.87 | kJ/mol | 567.20 | NIST |
| ΔfusH | 30.87 | kJ/mol | 567.20 | NIST |
| ΔsubH | [98.70; 98.70] | kJ/mol | [344.50; 344.50] |
|
| ΔsubH | 98.70 ± 8.30 | kJ/mol | 344.50 | NIST |
| ΔsubH | 98.70 ± 8.30 | kJ/mol | 344.50 | NIST |
| ΔvapH | 88.50 | kJ/mol | 389.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.99; 263.87] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.23070e+02 | |||
| Coefficient B | 6.30000e-02 | |||
| Coefficient C | 2.61000e-04 | |||
| Coefficient D | -1.83200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 169.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 184.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 199.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 214.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 228.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 240.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 251.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 259.22 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 263.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [467.45; 582.32] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.57544e+01 | |||
| Coefficient B | -1.19044e+04 | |||
| Coefficient C | 0.00000e+00 | |||
| Temperature range, min. | 467.45 | |||
| Temperature range, max. | 582.32 | |||
| Pvap | 1.33 | kPa | 467.45 | Calculated Property |
| Pvap | 2.62 | kPa | 480.21 | Calculated Property |
| Pvap | 4.99 | kPa | 492.98 | Calculated Property |
| Pvap | 9.17 | kPa | 505.74 | Calculated Property |
| Pvap | 16.37 | kPa | 518.50 | Calculated Property |
| Pvap | 28.41 | kPa | 531.27 | Calculated Property |
| Pvap | 48.07 | kPa | 544.03 | Calculated Property |
| Pvap | 79.38 | kPa | 556.79 | Calculated Property |
| Pvap | 128.16 | kPa | 569.56 | Calculated Property |
| Pvap | 202.64 | kPa | 582.32 | Calculated Property |
| Pvap | [0.13; 101.85] | kPa | [343.80; 435.80] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 2.82050e+01 | |||
| Coefficient B | -9.86275e+03 | |||
| Coefficient C | -1.75580e+01 | |||
| Reference | Stull, 1947 | |||
| Comment | Coefficents calculated by NIST from author's data. | |||
| Temperature range, min. | 343.80 | |||
| Temperature range, max. | 435.80 | |||
| Pvap | 0.13 | kPa | 343.80 | Calculated Property |
| Pvap | 0.33 | kPa | 354.02 | Calculated Property |
| Pvap | 0.78 | kPa | 364.24 | Calculated Property |
| Pvap | 1.77 | kPa | 374.47 | Calculated Property |
| Pvap | 3.82 | kPa | 384.69 | Calculated Property |
| Pvap | 7.91 | kPa | 394.91 | Calculated Property |
| Pvap | 15.76 | kPa | 405.13 | Calculated Property |
| Pvap | 30.31 | kPa | 415.36 | Calculated Property |
| Pvap | 56.41 | kPa | 425.58 | Calculated Property |
| Pvap | 101.85 | kPa | 435.80 | Calculated Property |
Similar Compounds
Find more compounds similar to p-Benzoquinone, 2,3,5,6-tetrachloro-.
Mixtures
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Spectroscopic and ultrasonic studies on the molecular interaction of certain aromatic amines with p-chloranil
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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