Chemical Properties of 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-

InChI

InChI=1S/C10H12O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h1-4H3

InChI Key

WAMKWBHYPYBEJY-UHFFFAOYSA-N

Formula

C10H12O2

SMILES

CC1=C(C)C(=O)C(C)=C(C)C1=O

Molecular Weight¹

164.20

Other Names

• 1,4-benzoquinone, tetramethyl-
• 2,3,5,6-Tetramethyl-1,4-benzoquinone
• 2,3,5,6-Tetramethyl-2,5-cyclohexadiene-1,4-dione
• 2,3,5,6-Tetramethyl-p-benzoquinone
• 2,3,5,6-tetramethylbenzoquinone
• NSC 2068
• Tetramethyl-1,4-benzoquinone
• Tetramethyl-p-quinone
• Tetramethylquinone
• duroquinone
• p-Benzoquinone, 2,3,5,6-tetramethyl-
• p-Benzoquinone, tetramethyl-
• p-Benzoquinone, tetramethyl-, semiquinone
• tetramethyl-p-benzoquinone

• 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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

Property	Value	Unit	Source
EA	[1.60; 1.62]	eV
EA	1.62 ± 0.06	eV	NIST
EA	1.60 ± 0.05	eV	NIST
ΔfusH°	18.54	kJ/mol	Thermochemistry of benzoquinones
ΔsubH°	93.20 ± 1.20	kJ/mol	NIST
IE	[9.10; 9.25]	eV
IE	9.10	eV	NIST
IE	9.16 ± 0.03	eV	NIST
IE	9.16 ± 0.03	eV	NIST
IE	9.25 ± 0.05	eV	NIST
logPoct/wat	1.811		Crippen Calculated Property
McVol	135.440	ml/mol	McGowan Calculated Property
Tboil	504.75	K	Relay (1.0) Calculated Property
Tfus	380.00 ± 2.00	K	NIST

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.72; 404.43]	J/mol×K	[606.30; 842.79]
Cp,gas	327.72	J/mol×K	606.30	Joback Calculated Property
Cp,gas	342.33	J/mol×K	645.71	Joback Calculated Property
Cp,gas	356.29	J/mol×K	685.13	Joback Calculated Property
Cp,gas	369.54	J/mol×K	724.54	Joback Calculated Property
Cp,gas	382.03	J/mol×K	763.96	Joback Calculated Property
Cp,gas	393.68	J/mol×K	803.37	Joback Calculated Property
Cp,gas	404.43	J/mol×K	842.79	Joback Calculated Property
ΔfusH	[18.40; 18.50]	kJ/mol	[384.10; 384.80]
ΔfusH	18.40 ± 0.10	kJ/mol	384.10	NIST
ΔfusH	18.50 ± 0.10	kJ/mol	384.80	NIST

Similar Compounds

Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetramethyl-.

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
• Thermochemistry of benzoquinones
• 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.