Chemical Properties of 2-Cl-5-Me-p-benzoquinone radical (CAS 19832-87-2)

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.89; 296.73]	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			5.48900e+01
Coefficient B			2.56620e-01
Coefficient C			1.33720e-04
Coefficient D			-1.48500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.89	J/mol×K	273.00	Calculated Property
Cp,gas	155.84	J/mol×K	353.78	Calculated Property
Cp,gas	179.47	J/mol×K	434.56	Calculated Property
Cp,gas	202.32	J/mol×K	515.33	Calculated Property
Cp,gas	223.92	J/mol×K	596.11	Calculated Property
Cp,gas	243.81	J/mol×K	676.89	Calculated Property
Cp,gas	261.50	J/mol×K	757.67	Calculated Property
Cp,gas	276.53	J/mol×K	838.44	Calculated Property
Cp,gas	288.43	J/mol×K	919.22	Calculated Property
Cp,gas	296.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Cl-5-Me-p-benzoquinone radical.

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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