Chemical Properties of Benzoic acid, 3,5-dinitro- (CAS 99-34-3)

Benzoic acid, 3,5-dinitro-

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InChI
InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
InChI Key
VYWYYJYRVSBHJQ-UHFFFAOYSA-N
Formula
C7H4N2O6
SMILES
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
Molecular Weight1
212.12
CAS
99-34-3
Other Names
  • 3,5-Dinitrobenzoic acid
  • 3-Carboxy-1,5-Dinitrobenzene
  • DNBA
  • Dinitrobenzoic acid
Sources

Physical Properties

Property Value Unit Source
Δcsolid -2894.00 ± 0.40 kJ/mol NIST
Δf -93.43 kJ/mol Joback Calculated Property
Δfgas -260.55 kJ/mol Joback Calculated Property
Δfsolid -432.60 ± 0.40 kJ/mol NIST
Δfus 35.56 kJ/mol Joback Calculated Property
Δvap 91.38 kJ/mol Joback Calculated Property
logPoct/wat 1.20 Crippen Calculated Property
Pc 5029.93 kPa Joback Calculated Property
Tboil 845.93 K Joback Calculated Property
Tc 1098.09 K Joback Calculated Property
Tfus 618.08 K Joback Calculated Property
Vc 0.51 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 337.32 J/mol×K 845.93 Joback Calculated Property
ΔfusH 22.80 kJ/mol 480.4 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-OH (alcohol) 1
>C=O (nonring) 1
-NO2 2
=CH- (ring) 3

Similar Compounds

3-Amino-5-nitrobenzoic acid. Benzoic acid, 3,5-dinitro-,silver salt. Methyl 3,5-dinitrobenzoate. Benzoic acid, 3-nitro-. Ethyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, allyl ester. Benzoic acid, 3,5-dinitro, 2-propynyl ester. Ethylene glycol bis(3,5-dinitrobenzoate). 2-Chloroethyl 3,5-dinitrobenzoate. 2-Ethoxyethyl 3,5-dinitrobenzoate. 2-(2-Methoxyethoxy)ethyl 3,5-dinitrobenzoate. 2-(2-Ethoxyethoxy)ethyl 3,5-dinitrobenzoate. Benzoic acid, 3,5-dinitro, 2-methylpropyl ester. Benzoic acid, 3,5-dinitro, 3-butenyl ester. 2,2-Dichloroethyl 3,5-dinitrobenzoate.

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