Chemical Properties of 2,5-DI-TERT-BUTYLHYDROQUINONE

InChI

InChI=1S/C14H22O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)14(4,5)6/h7-8,15-16H,1-6H3

InChI Key

JZODKRWQWUWGCD-UHFFFAOYSA-N

Formula

C14H22O2

SMILES

CC(C)(C)c1cc(O)c(C(C)(C)C)cc1O

Molecular Weight¹

222.33

Other Names

• 1,4-Dihydroxy-2,5-di-tert-butylbenzene
• 1,4-benzenediol, 2,5-bis(1,1-dimethylethyl)-
• 2,5-Bis(1,1-dimethylethyl)-1,4-benzenediol
• 2,5-Di-tert-butyl-1,4-benzohydroquinone
• 2,5-Di-tert-butyl-1,4-dihydroxybenzene
• 2,5-Di-tert-butyl-1,4-hydroquinone
• 2,5-Di-tert-butylbenzene-1,4-diol
• 2,5-Di-tert-butylquinol
• 2,5-di-t-Butylhydroquinone
• Antage DBH
• DBH
• DTBHQ
• Di-t-butylhydroquinone
• Dibug
• Dybug
• Eastman DTBHQ
• Hydroquinone, 2,5-di-tert-butyl-
• NSC 11
• Naugard 451
• Nocrac NS 7
• Nonflex Alba
• Santovar O

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-437.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.41	kJ/mol	Joback Calculated Property
ΔsubH°	122.40 ± 1.70	kJ/mol	NIST
ΔvapH°	96.54	kJ/mol	Relay (1.0) Calculated Property
IE	7.93	eV	Relay (1.0) Calculated Property
logPoct/wat	3.693		Crippen Calculated Property
McVol	196.100	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Inp	[1457.00; 1457.00]
Inp	1457.00		NIST
Inp	1457.00		NIST
Tboil	546.16	K	Relay (1.0) Calculated Property
Tc	800.46	K	Relay (1.0) Calculated Property
Tfus	491.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Critical Volume, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.62; 667.81]	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			-9.62300e+01
Coefficient B			1.75632e+00
Coefficient C			-1.55828e-03
Coefficient D			5.66000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.62	J/mol×K	273.00	Calculated Property
Cp,gas	355.15	J/mol×K	353.78	Calculated Property
Cp,gas	419.17	J/mol×K	434.56	Calculated Property
Cp,gas	472.49	J/mol×K	515.33	Calculated Property
Cp,gas	516.89	J/mol×K	596.11	Calculated Property
Cp,gas	554.17	J/mol×K	676.89	Calculated Property
Cp,gas	586.11	J/mol×K	757.67	Calculated Property
Cp,gas	614.50	J/mol×K	838.44	Calculated Property
Cp,gas	641.14	J/mol×K	919.22	Calculated Property
Cp,gas	667.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000835; 0.0000020]	Pa×s	[491.15; 661.31]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-2.38818e+01
Coefficient B			7.11748e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			491.15
Temperature range, max.			661.31
η	0.0000835	Pa×s	491.15	Calculated Property
η	0.0000488	Pa×s	510.06	Calculated Property
η	0.0000296	Pa×s	528.96	Calculated Property
η	0.0000186	Pa×s	547.87	Calculated Property
η	0.0000121	Pa×s	566.78	Calculated Property
η	0.0000081	Pa×s	585.68	Calculated Property
η	0.0000055	Pa×s	604.59	Calculated Property
η	0.0000039	Pa×s	623.49	Calculated Property
η	0.0000028	Pa×s	642.40	Calculated Property
η	0.0000020	Pa×s	661.31	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-DI-TERT-BUTYLHYDROQUINONE.

Mixtures

• Ethyl Acetate + 2,5-DI-TERT-BUTYLHYDROQUINONE
• Methyl Alcohol + 2,5-DI-TERT-BUTYLHYDROQUINONE
• Acetone + 2,5-DI-TERT-BUTYLHYDROQUINONE
• Ethanol + Water + 2,5-DI-TERT-BUTYLHYDROQUINONE
• Ethanol + 2,5-DI-TERT-BUTYLHYDROQUINONE

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solubility of 2,5-Di-tert-butylhydroquinone and Process Design for Its Purification Using Crystallization
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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