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
Ip 2295.00 NIST
Tfus 347.26 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [178.12; 447.74] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.00000e-01
Coefficient B7.20160e-01
Coefficient C-2.47920e-04
Coefficient D-2.50000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 178.12 J/mol×K 273.00 Calculated Property
Cp,gas 223.14 J/mol×K 353.78 Calculated Property
Cp,gas 264.58 J/mol×K 434.56 Calculated Property
Cp,gas 302.36 J/mol×K 515.33 Calculated Property
Cp,gas 336.40 J/mol×K 596.11 Calculated Property
Cp,gas 366.62 J/mol×K 676.89 Calculated Property
Cp,gas 392.95 J/mol×K 757.67 Calculated Property
Cp,gas 415.29 J/mol×K 838.44 Calculated Property
Cp,gas 433.58 J/mol×K 919.22 Calculated Property
Cp,gas 447.74 J/mol×K 1000.00 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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