Chemical Properties of Fluchloralin (CAS 33245-39-5)

InChI

InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3

InChI Key

MNFMIVVPXOGUMX-UHFFFAOYSA-N

Formula

C12H13ClF3N3O4

SMILES

CCCN(CCCl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

Molecular Weight¹

355.70

CAS

33245-39-5

Other Names

• Benzenamine, N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
• p-Toluidine, N-(2-chloroethyl)-«alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-N-propyl-
• Basalin
• BAS 392 04 H
• BAS 3921
• BAS 3921 H
• BAS 3924H
• p-Toluidine, N-(2-chloroethyl)-2,6-dinitro-N-propyl-«alpha»,«alpha»,«alpha»-trifluoro-
• BAS 3920
• BAS 3922
• N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
• N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)benzenamine
• N-(2-Chloroethyl)-«alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-N-propyl-p-toluidine
• N-Propyl-N-(2-chloroethyl)-2,6-dinitro-4-trifluoromethylaniline
• N-Propyl-N-(2-chloroethyl)-«alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-p-toluidine
• N-(2-chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)benzeneamine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[639.45; 690.21]	J/mol×K	[863.71; 1093.61]
Cp,gas	639.45	J/mol×K	863.71	Joback Calculated Property
Cp,gas	649.63	J/mol×K	902.03	Joback Calculated Property
Cp,gas	659.01	J/mol×K	940.34	Joback Calculated Property
Cp,gas	667.67	J/mol×K	978.66	Joback Calculated Property
Cp,gas	675.70	J/mol×K	1016.98	Joback Calculated Property
Cp,gas	683.18	J/mol×K	1055.29	Joback Calculated Property
Cp,gas	690.21	J/mol×K	1093.61	Joback Calculated Property
ΔfusH	23.08	kJ/mol	318.40	NIST

Similar Compounds

Find more compounds similar to Fluchloralin.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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