Chemical Properties of Benzene, 1-ethyl-4-nitro- (CAS 100-12-9)

Benzene, 1-ethyl-4-nitro-

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InChI
InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3
InChI Key
RESTWAHJFMZUIZ-UHFFFAOYSA-N
Formula
C8H9NO2
SMILES
CCc1ccc([N+](=O)[O-])cc1
Molecular Weight1
151.16
CAS
100-12-9
Other Names
  • 1-Ethyl-4-nitrobenzene
  • 4-Ethylnitrobenzene
  • 4-Nitroethylbenzene
  • p-Ethylnitrobenzene
  • p-Nitroethylbenzene
  • p-Nitrophenylethane
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4379.02 kJ/mol NIST
Δf 154.81 kJ/mol Joback Calculated Property
Δfgas 5.85 kJ/mol Joback Calculated Property
Δfsolid -55.31 kJ/mol NIST
Δfus 21.49 kJ/mol Joback Calculated Property
Δvap 52.93 kJ/mol Joback Calculated Property
IE 9.71 ± 0.03 eV NIST
logPoct/wat 2.157 Crippen Calculated Property
Pc 3637.73 kPa Joback Calculated Property
Tboil 518.70 K NIST
Tc 810.58 K Joback Calculated Property
Tfus 362.47 K Joback Calculated Property
Vc 0.458 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.21 J/mol×K 565.94 Joback Calculated Property
ΔvapH 59.40 kJ/mol 393.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 1
-CH3 1
-NO2 1
=CH- (ring) 4

Similar Compounds

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

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