Chemical Properties of 4,4'-Dinitrobibenzyl (CAS 736-30-1)

4,4'-Dinitrobibenzyl

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InChI
InChI=1S/C14H12N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h3-10H,1-2H2
InChI Key
BSNKHEKTRWNNAC-UHFFFAOYSA-N
Formula
C14H12N2O4
SMILES
O=[N+]([O-])c1ccc(CCc2ccc([N+](=O)[O-])cc2)cc1
Molecular Weight1
272.26
CAS
736-30-1
Other Names
  • 1,1'-(1,2-Ethanediyl)bis(4-nitrobenzene)
  • 1,2-Bis(4-nitrophenyl)ethane
  • 1,2-Bis(p-nitrophenyl)ethane
  • 1,2-Ethanediylbis(4-nitrobenzene)
  • 4,4'-Dinitrodibenzyl
  • Benzene, 1,1'-(1,2-ethanediyl)bis[4-nitro-
  • Bibenzyl, 4,4'-dinitro-
  • NSC 60022
  • NSC 608
  • p,p'-Dinitrobibenzyl
  • p,p'-Dinitrodibenzyl
Sources

Physical Properties

Property Value Unit Source
Δf 343.66 kJ/mol Joback Calculated Property
Δfgas 96.31 kJ/mol Joback Calculated Property
Δfus 42.04 kJ/mol Joback Calculated Property
Δvap 85.82 kJ/mol Joback Calculated Property
IE 9.77 ± 0.05 eV NIST
IE 9.50 ± 0.10 eV NIST
logPoct/wat 3.29 Crippen Calculated Property
Pc 2752.67 kPa Joback Calculated Property
Tboil 886.72 K Joback Calculated Property
Tc 1163.96 K Joback Calculated Property
Tfus 612.64 K Joback Calculated Property
Vc 0.77 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 565.16 J/mol×K 886.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 4
-NO2 2
-CH2- 2
=CH- (ring) 8

Similar Compounds

Benzene, 1-nitro-4-(2-phenylethyl)-. Benzene, 1-ethyl-4-nitro-. 1-Bromo-2-(4-nitrophenyl)ethane. Benzene, 1-(1-methylethyl)-4-nitro-. Benzeneethanol, 4-nitro-. Benzeneacetonitrile, 4-nitro-. 1-Nitro-4-propylbenzene. 1-tert-Butyl-4-nitrobenzene. p-Nitrobutylbenzene. 4-(NO2)C6H4C(CH3)=CH2. Acetophenone, 4'-nitro-. Benzene, 1-methyl-4-nitro-. Benzene, 1-nitro-4-(2,2,2-trichloroethyl). 4-Nitrophenylacetone. 2,2'-Dimethyl-4,4'-dinitrobibenzyl.

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