4-Bromo-2-Nitroacetanilide

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InChIInChI=1S/C8H7BrN2O3/c1-5(12)10-7-3-2-6(9)4-8(7)11(13)14/h2-4H,1H3,(H,10,12)InChI KeyGUBNCRISSRANNO-UHFFFAOYSA-NFormulaC8H7BrN2O3SMILESCC(=O)Nc1ccc(Br)cc1(=O)Molecular Weight1259.06CAS881-50-5Other Names 4-Bromo-2-nitroacetanilide Acetamide, N-(4-bromo-2-nitrophenyl)- Sources Cp,gas: Ideal gas heat capacity (J/mol×K).

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ΔfG°: Standard Gibbs free energy of formation (kJ/mol).ΔfH°gas: Enthalpy of formation at standard conditions (kJ/mol).ΔfusH°: Enthalpy of fusion at standard conditions (kJ/mol).ΔvapH°: Enthalpy of vaporization at standard conditions (kJ/mol).logPoct/wat: Octanol/Water partition coefficient.

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Pc: Critical Pressure (kPa).Tboil: Normal Boiling Point Temperature (K).Tc: Critical Temperature (K).Tfus: Normal melting (fusion) point (K).

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Vc: Critical Volume (m3/kg-mol).

Physical Properties

PropertyValueUnitSource
ΔfG° 119.97 kJ/mol JobackCalculated Property
ΔfH°gas -38.40 kJ/mol JobackCalculated Property
ΔfusH° 33.08 kJ/mol JobackCalculated Property
ΔvapH° 73.21 kJ/mol JobackCalculated Property
logPoct/wat 2.32 CrippenCalculated Property
Pc 4283.05 kPa JobackCalculated Property
Tboil 741.12 K JobackCalculated Property
Tc 1000.96 K JobackCalculated Property
Tfus 537.38 K JobackCalculated Property
Vc 0.56 m3/kg-mol JobackCalculated Property

Temperature Dependent Properties

PropertyValueUnitTemperature (K)Source
Cp,gas 345.90 J/mol×K 741.12 JobackCalculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (nonring) 1
=CH- (ring) 3
-NO2 1
=CNH 1
-CH3 1
-Br 1

Similar Compounds

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