Chemical Properties of Acetophenone, 4'-nitro- (CAS 100-19-6)

Acetophenone, 4'-nitro-

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InChI
InChI=1S/C8H7NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-5H,1H3
InChI Key
YQYGPGKTNQNXMH-UHFFFAOYSA-N
Formula
C8H7NO3
SMILES
CC(=O)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
165.15
CAS
100-19-6
Other Names
  • 1-(4-Nitrophenyl)ethan-1-one
  • 1-(4-nitrophenyl)ethanone
  • 1-Acetyl-4-nitrobenzene
  • 4'-nitroacetophenone
  • 4-Acetylnitrobenzene
  • 4-Nitroacetophenone
  • Ethanone, 1-(4-nitrophenyl)-
  • Methyl 4-nitrophenyl ketone
  • Methyl-p-nitrophenyl ketone
  • NSC 41590
  • PNAP
  • Paranitroacetophenone
  • p-Acetylnitrobenzene
  • p-Nitrophenyl methyl ketone
  • p-nitroacetophenone
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Physical Properties

Property Value Unit Source
PAff 824.30 kJ/mol NIST
BasG 792.50 kJ/mol NIST
Δcsolid -3933.00 kJ/mol NIST
EA [1.41; 1.57] eV Show Hide
EA 1.57 ± 0.10 eV NIST
EA 1.54 ± 0.09 eV NIST
EA 1.41 ± 0.09 eV NIST
Δf 25.89 kJ/mol Joback Calculated Property
Δfgas -106.73 kJ/mol Joback Calculated Property
Δfus 23.09 kJ/mol Joback Calculated Property
Δvap 59.68 kJ/mol Joback Calculated Property
IE [9.98; 10.20] eV Show Hide
IE 10.07 ± 0.02 eV NIST
IE 10.05 eV NIST
IE 9.98 eV NIST
IE 10.20 ± 0.10 eV NIST
log10WS -2.78 Crippen Calculated Property
logPoct/wat 1.797 Crippen Calculated Property
McVol 118.810 ml/mol McGowan Calculated Property
Pc 3930.78 kPa Joback Calculated Property
Tboil [421.70; 475.20] K Show Hide
Tboil 475.20 K NIST
Tboil 421.70 K NIST
Tc 871.76 K Joback Calculated Property
Tfus [353.65; 354.15] K Show Hide
Tfus 354.15 K Solubil...
Tfus 353.65 ± 1.50 K NIST
Vc 0.464 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [276.23; 328.68] J/mol×K [619.81; 871.76] Show Hide
Cp,gas 276.23 J/mol×K 619.81 Joback Calculated Property
Cp,gas 287.00 J/mol×K 661.80 Joback Calculated Property
Cp,gas 296.90 J/mol×K 703.79 Joback Calculated Property
Cp,gas 305.97 J/mol×K 745.79 Joback Calculated Property
Cp,gas 314.27 J/mol×K 787.78 Joback Calculated Property
Cp,gas 321.82 J/mol×K 829.77 Joback Calculated Property
Cp,gas 328.68 J/mol×K 871.76 Joback Calculated Property
ΔvapH 97.00 kJ/mol 298.15 Standar...

Similar Compounds

p-Nitrophenacyl bromide. 4-Isocyanatoacetophenone. 4-Acetylphenylisothiocyanate. Acetophenone, 2'-bromo-4'-nitro-. Ethanone, 1-(3-nitrophenyl)-. Acetophenone, 4'-amino-. 1,2-Propanedione, 1-(p-nitrophenyl)-. 1-tert-Butyl-4-nitrobenzene. 4-Nitrophenylglyoxylic acid. 1-(4-Nitrophenyl)-1-butanone. 4-(NO2)C6H4C(CH3)=CH2. 2-Bromo-3'-nitroacetophenone. 3-Nitrobenzeneacetyl chloride. Benzene, 1-ethyl-4-nitro-. 4-Nitrobenzoyl chloride.

Find more compounds similar to Acetophenone, 4'-nitro-.

Mixtures

Sources

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