Chemical Properties of p-Nitrobutylbenzene (CAS 20651-75-6)

p-Nitrobutylbenzene

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InChI
InChI=1S/C10H13NO2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3
InChI Key
JZRBCNLSIDKBMG-UHFFFAOYSA-N
Formula
C10H13NO2
SMILES
CCCCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
179.22
CAS
20651-75-6
Other Names
  • 1-butyl-4-nitrobenzene
  • p-Nitrobutylbenzene
Sources

Physical Properties

Property Value Unit Source
Δf 171.65 kJ/mol Joback Calculated Property
Δfgas -35.43 kJ/mol Joback Calculated Property
Δfus 26.67 kJ/mol Joback Calculated Property
Δvap 57.38 kJ/mol Joback Calculated Property
IE 10.10 ± 0.10 eV NIST
logPoct/wat 2.937 Crippen Calculated Property
Pc 2921.84 kPa Joback Calculated Property
Tboil 417.20 K NIST
Tc 846.29 K Joback Calculated Property
Tfus 385.01 K Joback Calculated Property
Vc 0.570 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 358.03 J/mol×K 611.7 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 3
-CH3 1
-NO2 1
=CH- (ring) 4

Similar Compounds

1-Nitro-4-propylbenzene. 4-(4-Nitrophenyl)butyric acid. Benzene, 1-ethyl-4-nitro-. 4-Nitrophenylacetone. Benzenebutanoic acid, 4-nitro-, methyl ester. p-t-amyl-nitrobenzene radical. Benzene, 1-(1-methylethyl)-4-nitro-. 1-Bromo-2-(4-nitrophenyl)ethane. Benzeneacetonitrile, 4-nitro-. Benzeneethanol, 4-nitro-. 1-tert-Butyl-4-nitrobenzene. 1-(4-Nitrophenyl)-1-butanone. 4,4'-Dinitrobibenzyl. Benzene, 1-nitro-4-(2-phenylethyl)-. Benzene, 1-nitro-4-(2,2,2-trichloroethyl).

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