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
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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
log10WS -3.04 Crippen Calculated Property
logPoct/wat 1.726 Crippen Calculated Property
McVol 134.090 ml/mol McGowan 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/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [332.93; 367.60] J/mol×K [792.54; 1059.17] Show Hide
Cp,gas 332.93 J/mol×K 792.54 Joback Calculated Property
Cp,gas 340.41 J/mol×K 836.98 Joback Calculated Property
Cp,gas 347.13 J/mol×K 881.42 Joback Calculated Property
Cp,gas 353.16 J/mol×K 925.85 Joback Calculated Property
Cp,gas 358.54 J/mol×K 970.29 Joback Calculated Property
Cp,gas 363.34 J/mol×K 1014.73 Joback Calculated Property
Cp,gas 367.60 J/mol×K 1059.17 Joback Calculated Property

Similar Compounds

4-(Dicyanomethyl)nitrobenzene. Benzeneacetonitrile, 4-nitro-. Benzene, 1-(1-methylethyl)-4-nitro-. Benzene, 1-nitro-4-(2,2,2-trichloroethyl). Benzene, 1-ethyl-4-nitro-. Benzene, 1-(2-bromoethyl)-4-nitro-. Benzeneacetonitrile, 3-nitro-. 1-tert-Butyl-4-nitrobenzene. Malononitrile, phenyl-. Methyl 4-nitrophenylacetate. 4,4'-Dinitrobibenzyl. 4-Nitrophenylacetone. Benzene, 1-methyl-4-nitro-. 1-Nitro-4-propylbenzene. Benzene, 1-(chloromethyl)-4-nitro-.

Find more compounds similar to C9H5N3O2.

Sources

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