Chemical Properties of Benzene, 1-nitro-4-(2-phenylethyl)- (CAS 14310-29-3)

Benzene, 1-nitro-4-(2-phenylethyl)-

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InChI
InChI=1S/C14H13NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2
InChI Key
FCVDHPQXWWONCH-UHFFFAOYSA-N
Formula
C14H13NO2
SMILES
O=[N+]([O-])c1ccc(CCc2ccccc2)cc1
Molecular Weight1
227.26
CAS
14310-29-3
Other Names
  • 4-Nitrobibenzyl
  • Bibenzyl, 4-nitro-
  • p-Nitrobibenzyl
Sources

Physical Properties

Property Value Unit Source
Δf 317.74 kJ/mol Joback Calculated Property
Δfgas 118.54 kJ/mol Joback Calculated Property
Δfus 31.07 kJ/mol Joback Calculated Property
Δvap 68.56 kJ/mol Joback Calculated Property
IE 9.17 ± 0.05 eV NIST
IE 8.90 ± 0.10 eV NIST
logPoct/wat 3.38 Crippen Calculated Property
Pc 2761.36 kPa Joback Calculated Property
Tboil 729.90 K Joback Calculated Property
Tc 991.74 K Joback Calculated Property
Tfus 456.51 K Joback Calculated Property
Vc 0.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 475.51 J/mol×K 729.9 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 3
-NO2 1
-CH2- 2
=CH- (ring) 9

Similar Compounds

4,4'-Dinitrobibenzyl. 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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