Chemical Properties of Profluralin

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

Other Names

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

• 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).
• 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.38; 775.22]	J/mol×K	[878.98; 1111.66]
Cp,gas	711.38	J/mol×K	878.98	Joback Calculated Property
Cp,gas	723.52	J/mol×K	917.76	Joback Calculated Property
Cp,gas	734.88	J/mol×K	956.54	Joback Calculated Property
Cp,gas	745.61	J/mol×K	995.32	Joback Calculated Property
Cp,gas	755.82	J/mol×K	1034.10	Joback Calculated Property
Cp,gas	765.65	J/mol×K	1072.88	Joback Calculated Property
Cp,gas	775.22	J/mol×K	1111.66	Joback Calculated Property
ΔfusH	22.51	kJ/mol	305.80	NIST

Similar Compounds

Find more compounds similar to Profluralin.

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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