Chemical Properties of Ethanone, 1-(3-nitrophenyl)- (CAS 121-89-1)

Ethanone, 1-(3-nitrophenyl)-

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InChI
InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3
InChI Key
ARKIFHPFTHVKDT-UHFFFAOYSA-N
Formula
C8H7NO3
SMILES
CC(=O)c1cccc([N+](=O)[O-])c1
Molecular Weight1
165.15
CAS
121-89-1
Other Names
  • (3-Nitrophenyl) methyl ketone
  • 1-(3-nitrophenyl)ethanone
  • 1-Acetyl-3-nitrobenzene
  • 3'-nitroacetophenone
  • 3-Nitroacetofenon
  • 3-Nitroacetophenone
  • Methyl 3-nitrophenyl ketone
  • NSC 5511
  • USAF MA-1
  • acetophenone, 3'-nitro-
  • m-Acetylnitrobenzene
  • m-nitroacetophenone
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Physical Properties

Property Value Unit Source
PAff 826.00 kJ/mol NIST
BasG 794.10 kJ/mol NIST
EA 1.33 ± 0.10 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 9.89 ± 0.05 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
Inp [1410.80; 1506.10]   Show Hide
Inp 1410.80 NIST
Inp 1506.10 NIST
Inp 1410.80 NIST
Tboil 475.20 K NIST
Tc 871.76 K Joback Calculated Property
Tfus 349.68 K Solubil...
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
ΔsubH 110.00 kJ/mol 318.00 NIST
ΔvapH 99.10 kJ/mol 298.15 Standar...

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 440.20 K 2.40 NIST

Similar Compounds

2-Bromo-3'-nitroacetophenone. 3-Nitrobenzeneacetyl chloride. 4-Bromo-3'-nitroacetophenone. Bis-(m,m'-nitrobenzil). 1-tert-Butyl-3-nitrobenzene. Ethanone, 1-(4-hydroxy-3-nitrophenyl)-. Ethanone, 1-(2-nitrophenyl)-. 3-Isocyanatoacetophenone. Acetophenone, 4'-nitro-. 4'-Methoxy-3'-nitroacetophenone. 3-Acetylphenylisothiocyanate. 3-Aminoacetophenone. 3-(NO2)C6H4C(CH3)=CH2. 1-Ethyl-3-nitrobenzene. p-Nitrophenacyl bromide.

Find more compounds similar to Ethanone, 1-(3-nitrophenyl)-.

Mixtures

Sources

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