Chemical Properties of 1,2-Dichloro-4,5-dicyano-p-benzoquinone (CAS 84-58-2)

InChI

InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13

InChI Key

HZNVUJQVZSTENZ-UHFFFAOYSA-N

Formula

C8Cl2N2O2

SMILES

N#CC1=C(C#N)C(=O)C(Cl)=C(Cl)C1=O

Molecular Weight¹

227.00

CAS

84-58-2

Other Names

• 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dichloro-3,6-dioxo-
• Dichlorodicyano-p-benzoquinone
• Dichlorodicyanobenzoquinone
• Dichlorodicyanoquinone
• DDQ
• 1,2-Dichloro-4,5-dicyanobenzoquinone
• 2,3-Dichloro-5,6-dicyanobenzoquinone
• 2,3-Dichloro-5,6-dicyanoquinone
• 2,3-Dicyano-5,6-dichlorobenzoquinone
• 2,3,5,6-Dichlorodicyanoquinone
• 2,3-Dichloro-5,6-dicyano-1,4-benzoquinone
• 2,3-Dichloro-5,6-dicyano-para-benzoquinone
• 2,3-Dichloro-5,6-dicyano-p-benzoquinone
• 4,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,2-dicarbonitrile
• 2,3-Dichloro-5,6-dicyano-p-quinone
• 2,3-Dicyano-5,6-dichloro-1,4-benzoquinone
• 5,6-Dichloro-2,3-dicyano-p-benzoquinone
• 5,6-Dicyano-2,3-dichloro-p-benzoquinone
• NSC 401087
• 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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,gas	[288.28; 305.28]	J/mol×K	[839.56; 1111.77]
Cp,gas	288.28	J/mol×K	839.56	Joback Calculated Property
Cp,gas	293.95	J/mol×K	884.93	Joback Calculated Property
Cp,gas	298.59	J/mol×K	930.30	Joback Calculated Property
Cp,gas	302.09	J/mol×K	975.67	Joback Calculated Property
Cp,gas	304.36	J/mol×K	1021.04	Joback Calculated Property
Cp,gas	305.28	J/mol×K	1066.41	Joback Calculated Property
Cp,gas	304.75	J/mol×K	1111.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Dichloro-4,5-dicyano-p-benzoquinone.

Sources

• Cheméo Relay (1.0)
• 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
• Joback Method
• McGowan Method
• NIST Webbook

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