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

2,5-di-tert-Butyl-1,4-benzoquinone

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

Property Value Unit Source
ΔfusH° 8.64 kJ/mol Joback Calculated Property
IE 9.32 eV Relay (1.0) Calculated Property
logPoct/wat 3.083 Crippen Calculated Property
McVol 191.800 ml/mol McGowan Calculated Property
Inp [1466.00; 1466.00]   Show Hide
Inp 1466.00 NIST
Inp 1466.00 NIST
Tfus 422.98 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [538.79; 632.77] J/mol×K [681.40; 924.70] Show Hide
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

tert-Butyl-p-benzoquinone. 2,5-CYCLOHEXADIENE-1,4-DIONE, 2,6-BIS(1,1-DIMETHYLETHYL)-. Thymoquinone. 2,6-di-t-Butyl-4-methylene-2,5-cyclohexadiene-1-one. 2,6-di(t-butyl)-4-hydroxy-4-methyl-2,5-cyclohexadiene-1-one. 3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-. 2,5-Cyclohexadien-1-one, 3,4,4-trimethyl-. 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. trans-«beta»-Damascone. 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-. Isomethyl-«alpha»-damascone. Damascenone A. 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-. cis-«beta»-Damascenone. 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-.

Find more compounds similar to 2,5-di-tert-Butyl-1,4-benzoquinone.

Sources

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