Chemical Properties of 2,5-di-tert-Butyl-1,4-benzoquinone (CAS 2460-77-7)

InChI

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

InChI Key

ZZYASVWWDLJXIM-UHFFFAOYSA-N

Formula

C14H20O2

SMILES

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

Molecular Weight¹

220.31

CAS

2460-77-7

Other Names

• 2,5-di-tert-Butyl-p-quinone
• 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
• p-Benzoquinone, 2,5-di-tert-butyl-
• 2,5-di-tert-Butylbenzoquinone
• 2,5-Di-tert-butylquinone
• 2,5-Di-tert-butylsemiquinone
• 2,5-Ditert-butylbenzo-1,4-quinone
• 2,5-Di-t-butyl-p-benzoquinone
• 2,5-Di-tert-butyl-p-benzoquinone
• NSC 43579
• NSC 7489

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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
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	[1466.00; 1466.00]
Inp	1466.00		NIST
Inp	1466.00		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-di-tert-Butyl-1,4-benzoquinone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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