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
202.00
CAS
586-78-7
Other Names
  • p-Bromonitrobenzene
  • p-Nitrobromobenzene
  • 1-Bromo-4-nitrobenzene
  • 4-Bromonitrobenzene
  • 4-Nitrobromobenzene
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Physical Properties

Property Value Unit Source
EA [1.29; 1.34] eV Show Hide
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
log10WS -3.29 Crippen Calculated Property
logPoct/wat 2.357 Crippen Calculated Property
McVol 106.560 ml/mol McGowan Calculated Property
Pc 5123.98 kPa Joback Calculated Property
Tboil 529.20 K NIST
Tc 856.92 K Joback Calculated Property
Tfus [397.00; 398.00] K Show Hide
Tfus 397.00 ± 205.00 K NIST
Tfus 398.00 ± 2.00 K NIST
Vc 0.407 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [207.37; 248.78] J/mol×K [586.34; 856.92] Show Hide
Cp,gas 207.37 J/mol×K 586.34 Joback Calculated Property
Cp,gas 216.09 J/mol×K 631.44 Joback Calculated Property
Cp,gas 223.99 J/mol×K 676.53 Joback Calculated Property
Cp,gas 231.15 J/mol×K 721.63 Joback Calculated Property
Cp,gas 237.63 J/mol×K 766.73 Joback Calculated Property
Cp,gas 243.48 J/mol×K 811.83 Joback Calculated Property
Cp,gas 248.78 J/mol×K 856.92 Joback Calculated Property
ΔsubH [86.60; 88.30] kJ/mol [298.00; 299.00] Show Hide
ΔsubH 88.30 kJ/mol 298.00 NIST
ΔsubH 86.60 ± 0.60 kJ/mol 299.00 NIST

Similar Compounds

Benzene, 1,2-dibromo-4-nitro-. Benzene, 1-bromo-3-nitro-. Benzene, 1-bromo-2-nitro-. Benzene, 1,4-dinitro-. Benzene, nitro-. Nitrobenzene-D5. Benzene, 1-bromo-2,4-dinitro-. Benzene, 1,4-dibromo-2-nitro-. Benzene, 1-isocyano-4-nitro-. Benzene, 1-isothiocyanato-4-nitro-. 2-Bromo-5-nitroaniline. Benzene, 1,3-dinitro-. Benzene, 1-azido-4-nitro-. 1-iodo-4-nitrobenzene. Benzene, 1-iodo-4-nitro-.

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

Sources

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