Chemical Properties of Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro- (CAS 20062-22-0)

Benzene, 1,1'-(1,2-ethenediyl)bis[2,4,6-trinitro-

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InChI
InChI=1S/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H/b2-1+
InChI Key
YSIBQULRFXITSW-OWOJBTEDSA-N
Formula
C14H6N6O12
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(C=Cc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
Molecular Weight1
450.23
CAS
20062-22-0
Other Names
  • 1,1'-(1,2-Ethenediyl)bis(2,4,6-trinitrobenzene)
  • 2,2',4,4',6,6'-Hexanitrostilbene
  • HNS
  • Stilbene, 2,2',4,4',6,6'-hexanitro-
Sources

Physical Properties

Property Value Unit Source
Δcsolid -6434.20 ± 5.00 kJ/mol NIST
Δcsolid -6424.70 ± 4.50 kJ/mol NIST
Δf 527.56 kJ/mol Joback Calculated Property
Δfgas 238.40 kJ/mol NIST
Δfsolid 68.00 ± 10.00 kJ/mol NIST
Δfsolid 58.07 kJ/mol NIST
Δfus 86.13 kJ/mol Joback Calculated Property
Δvap 154.79 kJ/mol Joback Calculated Property
logPoct/wat 3.306 Crippen Calculated Property
Pc 2871.95 kPa Joback Calculated Property
Tboil 1518.16 K Joback Calculated Property
Tc 1863.76 K Joback Calculated Property
Tfus 1232.08 K Joback Calculated Property
Vc 1.075 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 792.16 J/mol×K 1518.16 Joback Calculated Property
ΔsubH 179.90 kJ/mol 456.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 8
-NO2 6
=CH- 2
=CH- (ring) 4

Similar Compounds

Trinitrotoluene. Benzenamine, 2-methyl-3,5-dinitro-. P-toluidine, 3,5-dinitro-. 2,4-Dinitro-1,3-dimethyl-benzene. Dinitromesitylene. Benzene, 1-methyl-2,4-dinitro-. Benzene, 2-methyl-1,3-dinitro-. 4,6-Dinitro-1,3-dimethyl-benzene. Pyridine, 2-(2-(2-nitrophenyl)ethenyl)-, trans. 2,2',4,4',6,6'-Hexanitrodibenzyl. (o-Nitrobenzylidene)phenylacetonitrile. 2-Methyl-3-nitroaniline. Benzenamine, 4-methyl-3-nitro-. 2,4-Dinitrobenzaldehyde. 2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene.

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