Chemical Properties of Difluron (CAS 104790-81-0)

InChI

InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

InChI Key

QQQYTWIFVNKMRW-UHFFFAOYSA-N

Formula

C14H9ClF2N2O2

SMILES

O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(Cl)cc1

Molecular Weight¹

310.68

CAS

104790-81-0

Other Names

• 1-(4-Chlorophenyl)-3-(2,6-difluorobenzoyl)urea
• AI3-29054
• Benzamide, N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluoro-
• DU 112307
• Diflubenzuron
• Dimilin
• Duphacid
• ENT-29054
• Larvakil
• Micromite
• N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide
• N-[[(4-Chlorophenyl)amno]carbonyl]-2,6-difluorobenzamide
• N-[[(4-chlorophenyl)amino]carbonyl]-2,6-difluorobenzamide
• OMS 1804
• PDD 6040-I
• PH 60-40
• TH 6040
• Thompson-Hayward 6040

• 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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfusH°	42.68	kJ/mol	Joback Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	[-6.21; -6.02]
log10WS	-6.21		Aq. Solubility Prediction
log10WS	-6.02		Estimated Solubility
logPoct/wat	3.580		Crippen Calculated Property
McVol	199.480	ml/mol	McGowan Calculated Property
Tfus	474.71	K	Relay (1.0) Calculated Property

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 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	[534.30; 579.18]	J/mol×K	[832.07; 1063.69]
Cp,gas	534.30	J/mol×K	832.07	Joback Calculated Property
Cp,gas	543.90	J/mol×K	870.67	Joback Calculated Property
Cp,gas	552.57	J/mol×K	909.28	Joback Calculated Property
Cp,gas	560.39	J/mol×K	947.88	Joback Calculated Property
Cp,gas	567.39	J/mol×K	986.48	Joback Calculated Property
Cp,gas	573.64	J/mol×K	1025.09	Joback Calculated Property
Cp,gas	579.18	J/mol×K	1063.69	Joback Calculated Property
ΔfusH	55.99	kJ/mol	499.50	NIST

Similar Compounds

Find more compounds similar to Difluron.

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
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.