Chemical Properties of Profluralin (CAS 26399-36-0)

InChI

InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3

InChI Key

ITVQAKZNYJEWKS-UHFFFAOYSA-N

Formula

C14H16F3N3O4

SMILES

CCCN(CC1CC1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]

Molecular Weight¹

347.29

CAS

26399-36-0

Other Names

• Benzenamine, N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)-
• p-Toluidine, N-(cyclopropylmethyl)-«alpha»,«alpha»,«alpha»-trifluoro-2,6-dinitro-N-propyl-
• CG-10832
• CGA 10832
• ER 5461
• SGA 10832
• Tolban
• Profluraline
• N-(Cyclopropylmethyl)-2,6-dinitro-n-propyl-4-(trifluoromethyl)aniline
• B 4576
• N-Cyclopropylmethyl-N-n-propyl-4-trifluoromethyl-2,6-dinitroaniline
• Pregard
• N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)benzenamine

• 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	[711.32; 775.16]	J/mol×K	[878.78; 1111.41]
Cp,gas	711.32	J/mol×K	878.78	Joback Calculated Property
Cp,gas	723.46	J/mol×K	917.55	Joback Calculated Property
Cp,gas	734.82	J/mol×K	956.32	Joback Calculated Property
Cp,gas	745.55	J/mol×K	995.09	Joback Calculated Property
Cp,gas	755.76	J/mol×K	1033.86	Joback Calculated Property
Cp,gas	765.59	J/mol×K	1072.64	Joback Calculated Property
Cp,gas	775.16	J/mol×K	1111.41	Joback Calculated Property
ΔfusH	22.51	kJ/mol	305.80	NIST

Similar Compounds

Find more compounds similar to Profluralin.

Sources

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

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