Chemical Properties of Benzenamine, N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)-

Benzenamine, N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)-

InChI
InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
InChI Key
SMDHCQAYESWHAE-UHFFFAOYSA-N
Formula
C13H16F3N3O4
SMILES
CCCCN(CC)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
Molecular Weight1
335.28
Other Names
  • Balan
  • Balfin
  • Banafine
  • Benalan
  • Benefex
  • Benefin
  • Benephin
  • Benfluralin
  • Benfluraline
  • Bethrodine
  • Binnell
  • Blulan
  • Bonalan
  • Carpidor
  • EL-110
  • Emblem
  • Flubalex
  • L 54521
  • N-Butyl-2,6-dinitro-N-ethyl-4-trifluoromethylaniline
  • N-Butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine
  • N-Butyl-N-ethyl-2,6-dinitro-4-trifluoromethylaniline
  • N-Butyl-N-ethyl-«alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-p-toluidine
  • Quilan
  • p-Toluidine, N-butyl-N-ethyl-«alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-
  • «alpha»,«alpha»,«alpha»-Trifluoro-2,6-dinitro-N,N-ethylbutyl-p-toluidine
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Physical Properties

Property Value Unit Source
ΔfusH° 49.87 kJ/mol Joback Calculated Property
log10WS [-5.53; -5.53]   Show Hide
log10WS -5.53 Aq. Solubility Prediction
log10WS -5.53 Estimated Solubility
logPoct/wat 4.148 Crippen Calculated Property
McVol 220.400 ml/mol McGowan Calculated Property
Inp [1665.00; 1704.00]   Show Hide
Inp 1672.00 NIST
Inp Outlier 1704.00 NIST
Inp 1670.00 NIST
Inp 1672.00 NIST
Inp 1676.00 NIST
Inp 1679.00 NIST
Inp 1668.00 NIST
Inp 1670.00 NIST
Inp 1665.00 NIST
Inp 1672.00 NIST
Inp 1676.00 NIST
Tboil 577.87 K Relay (1.0) Calculated Property
Tfus [338.72; 339.15] K Show Hide
Tfus 339.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 338.72 ± 0.20 K NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 36.50 kJ/mol 338.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [324.64; 715.53] 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-5.84600e+00
Coefficient B1.46526e+00
Coefficient C-1.00388e-03
Coefficient D2.60000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 324.64 J/mol×K 273.00 Calculated Property
Cp,gas 398.40 J/mol×K 353.78 Calculated Property
Cp,gas 462.66 J/mol×K 434.56 Calculated Property
Cp,gas 518.24 J/mol×K 515.33 Calculated Property
Cp,gas 565.96 J/mol×K 596.11 Calculated Property
Cp,gas 606.65 J/mol×K 676.89 Calculated Property
Cp,gas 641.13 J/mol×K 757.67 Calculated Property
Cp,gas 670.22 J/mol×K 838.44 Calculated Property
Cp,gas 694.75 J/mol×K 919.22 Calculated Property
Cp,gas 715.53 J/mol×K 1000.00 Calculated Property

Similar Compounds

Profluralin. Trifluralin. Fluchloralin. 1-(2,4,6-Trinitrophenyl)piperidine. 1,3-Benzenediamine, 2,4-dinitro-N3,N3-dipropyl-6-(trifluoromethyl)-. Piperidine, 1-(2,4-dinitrophenyl)-. Isopropalin. Piperidine, 1-(2,4-dinitrophenyl)-4-propyl-,. Ethalfluralin. Piperidine, 1-(5-chloro-2-nitrophenyl). Oryzalin. Nitralin. N-[4-Chloro-2-nitrophenyl]pyrrolidine. N-[2-Amino-4-(trifluoromethyl)phenyl]pyrrolidine. Pyrrolidine, 1-(5-chloro-2-nitrophenyl).

Find more compounds similar to Benzenamine, N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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