Chemical Properties of 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-

InChI

InChI=1S/C8H8O2/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3

InChI Key

AIACLXROWHONEE-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

CC1=C(C)C(=O)C=CC1=O

Molecular Weight¹

136.15

Other Names

• p-Benzoquinone, 2,3-dimethyl-
• o-Xyloquinone
• 2,3-Dimethyl-p-benzoquinone
• 2,3-Dimethyl-p-quinone
• 2,3-Dimethyl-1,4-benzoquinone
• 2,3-Dimethylbenzoquinone
• 2,3-Dimethylquinone
• 2,3-Dimethylbenzo-1,4-quinone
• 2,3-Dimethyl-2,5-cyclohexadiene-1,4-dione
• NSC 402192

• 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).
• I_np : Non-polar retention indices.
• 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.70; 340.05]	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			4.10900e+01
Coefficient B			3.44840e-01
Coefficient C			9.97200e-05
Coefficient D			-1.45600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.70	J/mol×K	273.00	Calculated Property
Cp,gas	169.12	J/mol×K	353.78	Calculated Property
Cp,gas	197.83	J/mol×K	434.56	Calculated Property
Cp,gas	225.35	J/mol×K	515.33	Calculated Property
Cp,gas	251.25	J/mol×K	596.11	Calculated Property
Cp,gas	275.04	J/mol×K	676.89	Calculated Property
Cp,gas	296.28	J/mol×K	757.67	Calculated Property
Cp,gas	314.50	J/mol×K	838.44	Calculated Property
Cp,gas	329.25	J/mol×K	919.22	Calculated Property
Cp,gas	340.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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