Chemical Properties of 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)- (CAS 719-22-2)

InChI

InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3

InChI Key

RDQSIADLBQFVMY-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O

Molecular Weight¹

220.31

CAS

719-22-2

Other Names

• p-Benzoquinone, 2,6-di-tert-butyl-
• 2,6-Di-tert-butylbenzoquinone
• 2,6-Di-tert-butylquinone
• 2,6-di-tert-Butyl-para-benzoquinone
• 2,6-di-t-Butyl-p-benzoquinone
• 2,6-di-tert-Butyl-p-benzoquinone
• 2,6-Bis(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione
• DBQ
• 2,6-Di-tert-butyl-1,4-benzoquinone
• 2,6-bis-tert-Butylbenzoquinone
• Benzoquinone, 2,6-di-(1,1-dimethylethyl)
• p-Benzoquinone, 2,6-bis-(1,1-dimethylethyl)
• NSC 14448
• 2,6-bis-(1,1-Dimethylethyl)-2,5-cycloxehadien-1,4-dione

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
EA	1.87 ± 0.10	eV	NIST
ΔfG°	-99.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-457.91	kJ/mol	Joback Calculated Property
ΔfusH°	8.64	kJ/mol	Joback Calculated Property
ΔvapH°	55.31	kJ/mol	Joback Calculated Property
log10WS	-3.36		Crippen Calculated Property
logPoct/wat	3.083		Crippen Calculated Property
McVol	191.800	ml/mol	McGowan Calculated Property
Pc	2115.83	kPa	Joback Calculated Property
Inp	[1440.00; 1489.00]
Inp	1468.00		NIST
Inp	1474.00		NIST
Inp	1480.00		NIST
Inp	1489.00		NIST
Inp	1472.00		NIST
Inp	1469.00		NIST
Inp	1443.00		NIST
Inp	1464.00		NIST
Inp	1458.00		NIST
Inp	1461.00		NIST
Inp	1458.00		NIST
Inp	1472.10		NIST
Inp	1459.00		NIST
Inp	1462.00		NIST
Inp	1472.00		NIST
Inp	1472.00		NIST
Inp	1482.00		NIST
Inp	1462.00		NIST
Inp	1485.00		NIST
Inp	1443.00		NIST
Inp	1440.00		NIST
Inp	1472.00		NIST
Inp	1443.00		NIST
Inp	1468.00		NIST
Inp	1469.00		NIST
I	[1809.00; 1824.00]
I	1809.00		NIST
I	1814.00		NIST
I	1820.00		NIST
I	1824.00		NIST
I	1809.00		NIST
Tboil	681.40	K	Joback Calculated Property
Tc	924.70	K	Joback Calculated Property
Tfus	427.00	K	Joback Calculated Property
Vc	0.718	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[538.79; 632.77]	J/mol×K	[681.40; 924.70]
Cp,gas	538.79	J/mol×K	681.40	Joback Calculated Property
Cp,gas	557.81	J/mol×K	721.95	Joback Calculated Property
Cp,gas	575.45	J/mol×K	762.50	Joback Calculated Property
Cp,gas	591.74	J/mol×K	803.05	Joback Calculated Property
Cp,gas	606.71	J/mol×K	843.60	Joback Calculated Property
Cp,gas	620.37	J/mol×K	884.15	Joback Calculated Property
Cp,gas	632.77	J/mol×K	924.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-.

Sources

• 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.