Chemical Properties of 1-(4-Nitrophenyl)-1-butanone (CAS 3769-94-6)

1-(4-Nitrophenyl)-1-butanone

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InChI
InChI=1S/C10H11NO3/c1-2-3-10(12)8-4-6-9(7-5-8)11(13)14/h4-7H,2-3H2,1H3
InChI Key
YKLQCIOTHMYXQG-UHFFFAOYSA-N
Formula
C10H11NO3
SMILES
CCCC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
193.20
CAS
3769-94-6
Sources

Physical Properties

Property Value Unit Source
Δf 42.73 kJ/mol Joback Calculated Property
Δfgas -148.01 kJ/mol Joback Calculated Property
Δfus 28.27 kJ/mol Joback Calculated Property
Δvap 64.13 kJ/mol Joback Calculated Property
IE 9.90 ± 0.20 eV NIST
logPoct/wat 2.578 Crippen Calculated Property
Pc 3131.49 kPa Joback Calculated Property
Tboil 665.57 K Joback Calculated Property
Tc 906.59 K Joback Calculated Property
Tfus 434.94 K Joback Calculated Property
Vc 0.576 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 371.38 J/mol×K 665.57 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

1,2-Propanedione, 1-(p-nitrophenyl)-. 1-(4-Butyrylphenyl)-2-(4-nitrophenyl)ethane. Acetophenone, 4'-nitro-. p-Nitrophenacyl bromide. p-Nitrobutylbenzene. 1-Butanone, 1-(4-aminophenyl)-. 4-(4-Nitrophenyl)butyric acid. 1-Nitro-4-propylbenzene. Benzenebutanoic acid, 4-nitro-, methyl ester. 4-Nitrophenylacetone. 3,4-Di-p-nitro-benzoyl-heptane. 4-Nitrophenylglyoxylic acid. 1-Propanone, 1-(4-aminophenyl)-. p-t-amyl-nitrobenzene radical. Benzaldehyde, 4-nitro-.

Find more compounds similar to 1-(4-Nitrophenyl)-1-butanone.

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