Chemical Properties of Benzene, 1-bromo-4-nitro- (CAS 586-78-7)

Benzene, 1-bromo-4-nitro-

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InChI
InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChI Key
ZDFBKZUDCQQKAC-UHFFFAOYSA-N
Formula
C6H4BrNO2
SMILES
O=[N+]([O-])c1ccc(Br)cc1
Molecular Weight1
202.01
CAS
586-78-7
Other Names
  • 1-Bromo-4-nitrobenzene
  • 4-Bromonitrobenzene
  • 4-Nitrobromobenzene
  • p-Bromonitrobenzene
  • p-Nitrobromobenzene
Sources

Physical Properties

Property Value Unit Source
EA 1.29 ± 0.10 eV NIST
EA 1.34 ± 0.05 eV NIST
Δf 152.29 kJ/mol Joback Calculated Property
Δfgas 73.46 kJ/mol Joback Calculated Property
Δfus 21.59 kJ/mol Joback Calculated Property
Δsub 86.60 ± 0.60 kJ/mol NIST
Δvap 54.91 kJ/mol Joback Calculated Property
IE 9.80 ± 0.10 eV NIST
logPoct/wat 2.36 Crippen Calculated Property
Pc 5123.98 kPa Joback Calculated Property
Tboil 529.20 K NIST
Tc 856.92 K Joback Calculated Property
Tfus 397.00 ± 205.00 K NIST
Tfus 398.00 ± 2.00 K NIST
Vc 0.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 207.37 J/mol×K 586.34 Joback Calculated Property
ΔsubH 88.30 kJ/mol 298.0 NIST
ΔsubH 86.60 ± 0.60 kJ/mol 299.0 NIST

Molecular Descriptors

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

Similar Compounds

Benzene, 1,2-dibromo-4-nitro-. Benzene, 1-bromo-3-nitro-. Benzene, nitro-. Benzene, 1-bromo-2-nitro-. p-Nitroaniline. Benzene, 1,4-dinitro-. Benzenamine, 2-bromo-4-nitro-. Benzene, 1-methyl-4-nitro-. m-Nitroaniline. 1-Bromo-2,4-dinitrobenzene. Phenol, 4-nitro-. 1,3-Benzenediamine, 5-nitro-. o-Nitroaniline. Benzene, 1-chloro-4-nitro-. 4-Nitrophenylhydrazine hydrochloride.

Find more compounds similar to Benzene, 1-bromo-4-nitro-.

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