Chemical Properties of C9H5N3O2 (CAS 99726-62-2)

C9H5N3O2

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InChI
InChI=1S/C9H5N3O2/c10-5-8(6-11)7-1-3-9(4-2-7)12(13)14/h1-4,8H
InChI Key
HXEPLLFRQAVQQJ-UHFFFAOYSA-N
Formula
C9H5N3O2
SMILES
N#CC(C#N)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
187.15
CAS
99726-62-2
Sources

Physical Properties

Property Value Unit Source
Δf 427.15 kJ/mol Joback Calculated Property
Δfgas 309.69 kJ/mol Joback Calculated Property
Δfus 23.57 kJ/mol Joback Calculated Property
Δvap 75.73 kJ/mol Joback Calculated Property
logPoct/wat 1.726 Crippen Calculated Property
Pc 3100.18 kPa Joback Calculated Property
Tboil 792.54 K Joback Calculated Property
Tc 1059.17 K Joback Calculated Property
Tfus 488.72 K Joback Calculated Property
Vc 0.559 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 332.93 J/mol×K 792.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-CN 2
-NO2 1
=CH- (ring) 4
=C< (ring) 2

Similar Compounds

4-(Dicyanomethyl)nitrobenzene. Benzeneacetonitrile, 4-nitro-. Benzene, 1-(1-methylethyl)-4-nitro-. 1-tert-Butyl-4-nitrobenzene. Benzene, 1-ethyl-4-nitro-. 1-Nitro-4-propylbenzene. 1-Bromo-2-(4-nitrophenyl)ethane. Benzeneethanol, 4-nitro-. p-t-amyl-nitrobenzene radical. p-Nitrobutylbenzene. 4,4'-Dinitrobibenzyl. Benzene, 1-nitro-4-(2-phenylethyl)-. 4-(NO2)C6H4C(CH3)=CH2. Benzene, 1-nitro-4-(2,2,2-trichloroethyl). 4-Nitrophenylacetone.

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