Chemical Properties of tert-Butyl-p-benzoquinone (CAS 3602-55-9)

tert-Butyl-p-benzoquinone

InChI
InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3
InChI Key
NCCTVAJNFXYWTM-UHFFFAOYSA-N
Formula
C10H12O2
SMILES
CC(C)(C)C1=CC(=O)C=CC1=O
Molecular Weight1
164.20
CAS
3602-55-9
Other Names
  • 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-
  • p-Benzoquinone, 2-tert-butyl-
  • tert-Butyl-1,4-benzoquinone
  • tert-Butylbenzoquinone
  • tert-Butylquinone
  • 2-tert-Butyl-p-benzoquinone
  • 2-tert-Butyl-1,4-benzoquinone
  • 2-tert-Butyl quinone
  • 2-tert-Butyl-p-quinone
  • 2,5-Cyclohexadien-1,4-dione, 2-(1,1-dimethylethyl)-
  • 2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione
  • NSC 124503
  • p-Benzoquinone, tert-butyl-
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Physical Properties

Property Value Unit Source
ΔfusH° 6.08 kJ/mol Joback Calculated Property
IE 9.45 eV Relay (1.0) Calculated Property
logPoct/wat 1.667 Crippen Calculated Property
McVol 135.440 ml/mol McGowan Calculated Property
I 2295.00 NIST
Tfus 365.33 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 [333.21; 414.92] J/mol×K [588.13; 836.96] Show Hide
Cp,gas 333.21 J/mol×K 588.13 Joback Calculated Property
Cp,gas 349.40 J/mol×K 629.60 Joback Calculated Property
Cp,gas 364.58 J/mol×K 671.07 Joback Calculated Property
Cp,gas 378.73 J/mol×K 712.55 Joback Calculated Property
Cp,gas 391.84 J/mol×K 754.02 Joback Calculated Property
Cp,gas 403.91 J/mol×K 795.49 Joback Calculated Property
Cp,gas 414.92 J/mol×K 836.96 Joback Calculated Property

Similar Compounds

2,5-di-tert-Butyl-1,4-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-. 2,5-Cyclohexadien-1-one, 4-ethyl-3,4-dimethyl-. 2,6,10-Cycloundecatrien-1-one, 2,6,9,9-tetramethyl-, (E,E,E)-. 11,12,13-tri-nor-cis-Eudesma-5,8-dien-7-one. 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. trans-«beta»-Damascone. (E)-«beta»-Damascenone. 2-Buten-1-one, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, (E)-. cis-«beta»-Damascenone.

Find more compounds similar to tert-Butyl-p-benzoquinone.

Sources

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