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
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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
IE 9.29 ± 0.02 eV NIST
log10WS -3.44 Crippen Calculated Property
logPoct/wat 2.892 Crippen Calculated Property
McVol 145.420 ml/mol McGowan 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 0.558 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [361.51; 433.75] J/mol×K [608.47; 858.26] Show Hide
Cp,gas 361.51 J/mol×K 608.47 Joback Calculated Property
Cp,gas 376.25 J/mol×K 650.10 Joback Calculated Property
Cp,gas 389.79 J/mol×K 691.73 Joback Calculated Property
Cp,gas 402.22 J/mol×K 733.36 Joback Calculated Property
Cp,gas 413.64 J/mol×K 775.00 Joback Calculated Property
Cp,gas 424.12 J/mol×K 816.63 Joback Calculated Property
Cp,gas 433.75 J/mol×K 858.26 Joback Calculated Property

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 416.00 ± 1.00 K 2.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [379.59; 604.08] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.19846e+01
Coefficient B-3.48795e+03
Coefficient C-8.13960e+01
Temperature range, min.379.59
Temperature range, max.604.08
Pvap 1.33 kPa 379.59 Calculated Property
Pvap 3.29 kPa 404.53 Calculated Property
Pvap 7.13 kPa 429.48 Calculated Property
Pvap 13.93 kPa 454.42 Calculated Property
Pvap 25.03 kPa 479.36 Calculated Property
Pvap 41.98 kPa 504.31 Calculated Property
Pvap 66.45 kPa 529.25 Calculated Property
Pvap 100.22 kPa 554.19 Calculated Property
Pvap 145.05 kPa 579.14 Calculated Property
Pvap 202.65 kPa 604.08 Calculated Property

Similar Compounds

Benzene, 1-(1-methylethyl)-4-nitro-. 1-tert-Butyl-3-nitrobenzene. 4-t-Butylphenyl isothiocyanate. p-t-amyl-nitrobenzene radical. 4-t-Butylbenzeneamine. Acetophenone, 4'-nitro-. 1-tert-Butyl-2-nitrobenzene. N,N-Dimethyl-4-t-butylbenzeneamine. p-Nitrophenacyl bromide. 4-(NO2)C6H4C(CH3)=CH2. 2,5-di-tert-Butylnitrobenzene. Benzene, 1-ethyl-4-nitro-. Aniline, p-tert-butyl-n-methyl-. 4-(Dicyanomethyl)nitrobenzene. C9H5N3O2.

Find more compounds similar to 1-tert-Butyl-4-nitrobenzene.

Sources

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