Chemical Properties of 75635233

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)9-7-10(18(20)21)12(13(14,15)16)11(8-9)19(22)23/h7-8H,3-6H2,1-2H3

InChI Key

CTBJBOYGANZNCA-UHFFFAOYSA-N

Formula

C13H16F3N3O4

SMILES

CCCN(CCC)c1cc([N+](=O)[O-])c(C(F)(F)F)c([N+](=O)[O-])c1

Molecular Weight¹

335.28

Other Names

• 2,6-Dinitro-N,N-di-n-propyl-«alpha»,«alpha»,«alpha»-trifluoro-p-toluidine
• 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine
• 2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzeneamine
• 4-(Di-n-propylamino)-3,5-dinitro-1-(trifluoromethyl)benzene
• 4-(Trifluoromethyl)-2,6-dinitro-N,N-dipropylaniline
• Agreflan
• Agriflan 24
• Agriphlan 24
• Benzenamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-
• Benzeneamine, 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)-
• Brassix
• Crisalin
• Digermin
• Elancolan
• Ipersan
• L-36352
• Lilly 36,352
• N,N-Di-n-propyl-2,6-dinitro-4-trifluoromethylaniline
• N,N-Dipropyl-4-trifluoromethyl-2,6-dinitroaniline
• NCI C00443
• Nitran
• Nitran K
• Olitref
• Sinflouran
• Super-Treflan
• Synfloran
• TRIM
• Trefanocide
• Treficon
• Treflam
• Treflan
• Tri-4
• Trifloran
• Trifluraline
• Triflurex
• Trifurex
• Trikepin
• Trilin
• Tristar
• Zeltoxone
• p-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-N,N-dipropyl-
• «alpha»,«alpha»,«alpha»-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.64; 715.53]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = 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 B			1.46526e+00
Coefficient C			-1.00388e-03
Coefficient D			2.60000e-07
Coefficient E			0.00000e+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

Find more compounds similar to 75635233.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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