Chemical Properties of 2,5-Cyclohexadiene-1,4-dione, 2,5-dimethyl- (CAS 137-18-8)

InChI

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

InChI Key

MYKLQMNSFPAPLZ-UHFFFAOYSA-N

Formula

C8H8O2

SMILES

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

Molecular Weight¹

136.15

CAS

137-18-8

Other Names

• p-Benzoquinone, 2,5-dimethyl-
• p-Xyloquinone
• Phlorone
• 2,5-Dimethyl-p-benzoquinone
• 2,5-Dimethyl-1,4-benzoquinone
• 2,5-Dimethylquinone
• 2,5-Xyloquinone
• 3,6-Dimethyl-p-benzoquinone
• Benzoquinone, 2, 5-dimethyl-
• 2,5-Dimethyl-1,4-benzochinon
• 2,5-Dimetilbenzochinone (1:4)
• Floron
• Florone
• 2,5-Dimethyl-2,5-Cyclohexadiene-1,4-dione
• 2,5-Dimethyl-p-quinone
• NSC 15309

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
EA	1.76 ± 0.06	eV	NIST
ΔfusH°	7.93	kJ/mol	Joback Calculated Property
ΔsubH°	76.99	kJ/mol	NIST
IE	[9.58; 9.60]	eV
IE	9.58	eV	NIST
IE	9.60 ± 0.05	eV	NIST
log10WS	-1.44		Relay (1.0) Calculated Property
logPoct/wat	1.031		Crippen Calculated Property
McVol	107.260	ml/mol	McGowan Calculated Property
Inp	[1129.00; 1129.00]
Inp	1129.00		NIST
Inp	1129.00		NIST
Tboil	497.01	K	Relay (1.0) Calculated Property
Tfus	377.90	K	Relay (1.0) Calculated Property

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 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

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, 2,5-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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