Chemical Properties of 1-tert-Butyl-4-nitrobenzene (CAS 3282-56-2)

1-tert-Butyl-4-nitrobenzene

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InChI
InChI=1S/C10H13NO2/c1-10(2,3)8-4-6-9(7-5-8)11(12)13/h4-7H,1-3H3
InChI Key
XSCPVQNNFLHGHY-UHFFFAOYSA-N
Formula
C10H13NO2
SMILES
CC(C)(C)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
179.22
CAS
3282-56-2
Other Names
  • 1-Tert-butyl-2-nitrobenzene
  • 4-t-Butylnitrobenzene
  • 4-tert-Butylnitrobenzene
  • Benzene, 1-(1,1-dimethylethyl)-4-nitro-
  • p-Nitro-t-butylbenzene
  • p-t-Butylnitrobenzene
Sources

Physical Properties

Property Value Unit Source
Δf 174.49 kJ/mol Joback Calculated Property
Δfgas -44.18 kJ/mol Joback Calculated Property
Δfus 19.26 kJ/mol Joback Calculated Property
Δvap 56.09 kJ/mol Joback Calculated Property
logPoct/wat 2.89 Crippen Calculated Property
Pc 2982.79 kPa Joback Calculated Property
Tboil 608.47 K Joback Calculated Property
Tc 858.26 K Joback Calculated Property
Tfus 387.43 K Joback Calculated Property
Vc 0.56 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 361.51 J/mol×K 608.47 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-NO2 1
-CH3 3
>C< 1
=CH- (ring) 4

Similar Compounds

Benzene, 1-(1-methylethyl)-4-nitro-. Benzene, 1-ethyl-4-nitro-. p-t-amyl-nitrobenzene radical. Benzeneethanol, 4-nitro-. 1-Bromo-2-(4-nitrophenyl)ethane. 1-Nitro-4-propylbenzene. 4-(Dicyanomethyl)nitrobenzene. C9H5N3O2. Benzeneacetonitrile, 4-nitro-. p-Nitrobutylbenzene. Benzene, 1-nitro-4-(2-phenylethyl)-. 4,4'-Dinitrobibenzyl. Benzene, 1-methyl-4-nitro-. Acetophenone, 4'-nitro-. 4-(NO2)C6H4C(CH3)=CH2.

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