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

Ethanone, 1-(3-nitrophenyl)-

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
ω 0.5539 Relay (1.0) Calculated Property
PAff 826.00 kJ/mol NIST
BasG 794.10 kJ/mol NIST
EA 1.33 ± 0.10 eV NIST
ΔfG° 25.89 kJ/mol Joback Calculated Property
ΔfH°gas -102.48 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 23.09 kJ/mol Joback Calculated Property
ΔvapH° 74.62 kJ/mol Relay (1.0) Calculated Property
IE 9.89 ± 0.05 eV NIST
log10WS -2.19 Relay (1.0) 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 796.79 K Relay (1.0) Calculated Property
Tfus 349.68 K Solubility Measurement and Modeling of 1-(3-nitrophenyl)Ethanone and 1-(4-nitrophenyl)Ethenone in Nine Pure Organic Solvents from T = (278.15 to 318.15) K and Mixing Properties of Solutions
Vc 0.425 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH 110.00 kJ/mol 318.00 NIST
ΔvapH 99.10 kJ/mol 298.15 Standard molar enthalpies of formation of 3'- and 4'-nitroacetophenones

Pressure Dependent Properties

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

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [148.58; 345.74] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.11400e+01
Coefficient B6.96780e-01
Coefficient C-4.35260e-04
Coefficient D9.53600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 148.58 J/mol×K 273.00 Calculated Property
Cp,gas 185.11 J/mol×K 353.78 Calculated Property
Cp,gas 217.28 J/mol×K 434.56 Calculated Property
Cp,gas 245.39 J/mol×K 515.33 Calculated Property
Cp,gas 269.75 J/mol×K 596.11 Calculated Property
Cp,gas 290.65 J/mol×K 676.89 Calculated Property
Cp,gas 308.40 J/mol×K 757.67 Calculated Property
Cp,gas 323.30 J/mol×K 838.44 Calculated Property
Cp,gas 335.64 J/mol×K 919.22 Calculated Property
Cp,gas 345.74 J/mol×K 1000.00 Calculated Property

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. 2-BROMO-P-NITROACETOPHENONE.

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

Mixtures

Sources

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