Chemical Properties of Trifluralin (CAS 1582-09-8)

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)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

ZSDSQXJSNMTJDA-UHFFFAOYSA-N

Formula

C13H16F3N3O4

SMILES

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

Molecular Weight¹

335.28

CAS

1582-09-8

Other Names

• 2,6-Dinitro-N,N-di-n-propyl-«alpha»,«alpha»,«alpha»-trifluoro-p-toluidine
• 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-
• p-Toluidine, «alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-N,N-dipropyl-
• «alpha»,«alpha»,«alpha»-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine
• «alpha»,«alpha»,«alpha»-Trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine

• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-257.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-660.60	kJ/mol	Joback Calculated Property
ΔfusH°	49.87	kJ/mol	Joback Calculated Property
ΔvapH°	80.27	kJ/mol	Joback Calculated Property
log10WS	[-5.68; -5.68]
log10WS	-5.68		Aq. Sol...
log10WS	-5.68		Estimat...
logPoct/wat	4.148		Crippen Calculated Property
McVol	220.400	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[1660.00; 1698.00]
Inp	1674.00		NIST
Inp	1668.00		NIST
Inp	1676.00		NIST
Inp	1668.00		NIST
Inp	Outlier 1698.00		NIST
Inp	1665.00		NIST
Inp	1666.00		NIST
Inp	1671.00		NIST
Inp	1674.00		NIST
Inp	1663.00		NIST
Inp	1661.00		NIST
Inp	1665.00		NIST
Inp	1662.00		NIST
Inp	1660.00		NIST
Inp	1660.00		NIST
Inp	1663.00		NIST
Inp	1660.00		NIST
Inp	1671.00		NIST
I	2169.00		NIST
Tboil	849.16	K	Joback Calculated Property
Tc	1073.60	K	Joback Calculated Property
Tfus	[322.19; 322.90]	K
Tfus	322.19 ± 0.20	K	NIST
Tfus	322.90 ± 0.20	K	NIST
Vc	0.880	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[673.72; 731.90]	J/mol×K	[849.16; 1073.60]
Cp,gas	673.72	J/mol×K	849.16	Joback Calculated Property
Cp,gas	685.33	J/mol×K	886.57	Joback Calculated Property
Cp,gas	696.07	J/mol×K	923.97	Joback Calculated Property
Cp,gas	706.01	J/mol×K	961.38	Joback Calculated Property
Cp,gas	715.24	J/mol×K	998.78	Joback Calculated Property
Cp,gas	723.85	J/mol×K	1036.19	Joback Calculated Property
Cp,gas	731.90	J/mol×K	1073.60	Joback Calculated Property
ΔfusH	22.32	kJ/mol	321.40	NIST

Similar Compounds

Find more compounds similar to Trifluralin.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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