Chemical Properties of 2,6-Dinitrobenzonitrile (CAS 35213-00-4)

2,6-Dinitrobenzonitrile

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InChI
InChI=1S/C7H3N3O4/c8-4-5-6(9(11)12)2-1-3-7(5)10(13)14/h1-3H
InChI Key
ZYDGHQSJZAFMLU-UHFFFAOYSA-N
Formula
C7H3N3O4
SMILES
N#Cc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
Molecular Weight1
193.12
CAS
35213-00-4
Sources

Physical Properties

Property Value Unit Source
Δf 305.49 kJ/mol Joback Calculated Property
Δfgas 169.14 kJ/mol Joback Calculated Property
Δfus 31.38 kJ/mol Joback Calculated Property
Δvap 78.44 kJ/mol Joback Calculated Property
logPoct/wat 1.37 Crippen Calculated Property
Pc 3955.54 kPa Joback Calculated Property
Tboil 801.96 K Joback Calculated Property
Tc 1084.43 K Joback Calculated Property
Tfus 572.32 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 301.41 J/mol×K 801.96 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-NO2 2
-CN 1
=CH- (ring) 3

Similar Compounds

Benzene, 2-methyl-1,3-dinitro-. 2-Nitrobenzoic acid nitrile. P-toluidine, 3,5-dinitro-. 2-Methyl-3-nitroaniline. Trinitrotoluene. Benzenamine, 2-methyl-3,5-dinitro-. 2,4-Dinitro-1,3-dimethyl-benzene. Dinitromesitylene. Benzene, 1-methyl-2,4-dinitro-. Benzenamine, 4-methyl-3-nitro-. 4-Chloro-2-nitrobenzonitrile. Benzonitrile, 5-chloro-2-nitro-. 4,6-Dinitro-1,3-dimethyl-benzene. 2,4-Dinitrobenzaldehyde. 2,2',4,4',6,6'-Hexanitrodibenzyl.

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