Chemical Properties of Benzene, 1,4-dibromo-2-nitro- (CAS 3460-18-2)

InChI

InChI=1S/C6H3Br2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

InChI Key

WRGKKASJBOREMB-UHFFFAOYSA-N

Formula

C6H3Br3NO2

SMILES

O=[N+]([O-])c1cc(Br)ccc1Br

Molecular Weight¹

360.81

CAS

3460-18-2

Other Names

• 1,4-dibromo-2-nitrobenzene
• 2,5-dibromonitrobenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.96; 263.72]	J/mol×K	[657.48; 941.96]
Cp,gas	229.96	J/mol×K	657.48	Joback Calculated Property
Cp,gas	237.11	J/mol×K	704.89	Joback Calculated Property
Cp,gas	243.55	J/mol×K	752.31	Joback Calculated Property
Cp,gas	249.34	J/mol×K	799.72	Joback Calculated Property
Cp,gas	254.59	J/mol×K	847.14	Joback Calculated Property
Cp,gas	259.35	J/mol×K	894.55	Joback Calculated Property
Cp,gas	263.72	J/mol×K	941.96	Joback Calculated Property
ΔsubH	96.80 ± 0.40	kJ/mol	312.00	NIST
Psub	[9.70e-05; 1.07e-03]	kPa	[302.14; 322.14]
Psub	9.90e-05	kPa	302.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	9.70e-05	kPa	302.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	9.70e-05	kPa	302.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.21e-04	kPa	304.16	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.25e-04	kPa	304.16	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.23e-04	kPa	304.16	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.67e-04	kPa	306.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.66e-04	kPa	306.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.63e-04	kPa	306.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	2.03e-04	kPa	308.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	2.04e-04	kPa	308.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	2.05e-04	kPa	308.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	2.60e-04	kPa	310.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	2.64e-04	kPa	310.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	2.61e-04	kPa	310.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	3.27e-04	kPa	312.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	3.32e-04	kPa	312.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	3.29e-04	kPa	312.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	4.18e-04	kPa	314.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	4.19e-04	kPa	314.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	4.18e-04	kPa	314.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	5.22e-04	kPa	316.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	5.27e-04	kPa	316.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	5.24e-04	kPa	316.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	6.66e-04	kPa	318.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	6.75e-04	kPa	318.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	6.73e-04	kPa	318.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	8.84e-04	kPa	320.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	8.58e-04	kPa	320.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	8.38e-04	kPa	320.15	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.07e-03	kPa	322.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.07e-03	kPa	322.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
Psub	1.06e-03	kPa	322.14	Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers

Similar Compounds

Find more compounds similar to Benzene, 1,4-dibromo-2-nitro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Thermochemical study of the 2,5-dibromonitrobenzene isomer: An approach of the energetic study for the other dibromonitrobenzene isomers
• Joback Method
• McGowan Method
• NIST Webbook

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