Chemical Properties of 4-Nitrophenylacetone (CAS 5332-96-7)

4-Nitrophenylacetone

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InChI
InChI=1S/C9H9NO3/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
InChI Key
GEWWCWZGHNIUBW-UHFFFAOYSA-N
Formula
C9H9NO3
SMILES
CC(=O)Cc1ccc([N+](=O)[O-])cc1
Molecular Weight1
179.17
CAS
5332-96-7
Other Names
  • 2-Propanone, 1-(4-nitrophenyl)-
Sources

Physical Properties

Property Value Unit Source
Δf 34.31 kJ/mol Joback Calculated Property
Δfgas -127.37 kJ/mol Joback Calculated Property
Δfus 25.68 kJ/mol Joback Calculated Property
Δvap 61.90 kJ/mol Joback Calculated Property
logPoct/wat 1.726 Crippen Calculated Property
Pc 3497.14 kPa Joback Calculated Property
Tboil 642.69 K Joback Calculated Property
Tc 889.01 K Joback Calculated Property
Tfus 423.67 K Joback Calculated Property
Vc 0.519 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 323.04 J/mol×K 642.69 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1-Nitro-4-propylbenzene. p-Nitrobutylbenzene. Benzene, 1-ethyl-4-nitro-. 1,2-Propanedione, 1-(p-nitrophenyl)-. 4-(4-Nitrophenyl)butyric acid. p-t-amyl-nitrobenzene radical. Benzene, 1-(1-methylethyl)-4-nitro-. Methyl 4-nitrophenylacetate. 1-Bromo-2-(4-nitrophenyl)ethane. Benzeneethanol, 4-nitro-. Benzeneacetonitrile, 4-nitro-. Benzenebutanoic acid, 4-nitro-, methyl ester. 1-tert-Butyl-4-nitrobenzene. Ethyl-4-nitrophenylacetate. Benzene, 1-nitro-4-(2-phenylethyl)-.

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