Chemical Properties of Benzene, 1-bromo-3-nitro- (CAS 585-79-5)

Benzene, 1-bromo-3-nitro-

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H4BrNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChI Key
FWIROFMBWVMWLB-UHFFFAOYSA-N
Formula
C6H4BrNO2
SMILES
O=[N+]([O-])c1cccc(Br)c1
Molecular Weight1
202.00
CAS
585-79-5
Other Names
  • m-Bromonitrobenzene
  • m-Nitrobromobenzene
  • 1-Bromo-3-nitrobenzene
  • 3-Bromonitrobenzene
  • 3-Nitrobromobenzene
  • 1-Nitro-3-bromobenzene
  • NSC 7084
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
EA [1.32; 1.42] eV Show Hide
EA 1.32 ± 0.10 eV NIST
EA 1.42 ± 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 86.80 ± 0.50 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 586.34 K Joback Calculated Property
Tc 856.92 K Joback Calculated Property
Tfus [327.00; 329.15] K Show Hide
Tfus 327.65 ± 1.50 K NIST
Tfus 327.00 ± 1.50 K NIST
Tfus 329.15 ± 3.00 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 87.00 ± 0.50 kJ/mol 287.50 NIST

Similar Compounds

Benzene, 1,2-dibromo-4-nitro-. Benzene, 1-bromo-2-nitro-. Benzene, 1,4-dibromo-2-nitro-. Benzene, 1-bromo-4-nitro-. Benzenamine, 2-bromo-4-nitro-. Benzene, 1-bromo-2,4-dinitro-. Nitrobenzene-D5. Benzene, nitro-. Benzene, 2-bromo-1-methyl-4-nitro-. Naphthalene, 1-bromo-5-nitro-. 4-Bromo-3-nitroaniline. Benzene, 1,3-dinitro-. 2-Bromo-5-nitroaniline. Benzene, 1-bromo-2-methyl-3-nitro-. 3-Bromophenyl isothiocyanate.

Find more compounds similar to Benzene, 1-bromo-3-nitro-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.