Chemical Properties of TEFLUBENZURON

InChI

InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)

InChI Key

CJDWRQLODFKPEL-UHFFFAOYSA-N

Formula

C14H6Cl2F4N2O2

SMILES

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F

Molecular Weight¹

381.11

Other Names

• N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.87	kJ/mol	Joback Calculated Property
log10WS	[-7.42; -7.28]
log10WS	-7.42		Aq. Solubility Prediction
log10WS	-7.28		Estimated Solubility
logPoct/wat	4.512		Crippen Calculated Property
McVol	215.260	ml/mol	McGowan Calculated Property
Tfus	495.65	K	Aq. Solubility Prediction

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[297.09; 582.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.05900e+01
Coefficient B			9.76200e-01
Coefficient C			-5.64160e-04
Coefficient D			1.00320e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	297.09	J/mol×K	273.00	Calculated Property
Cp,gas	349.78	J/mol×K	353.78	Calculated Property
Cp,gas	396.50	J/mol×K	434.56	Calculated Property
Cp,gas	437.56	J/mol×K	515.33	Calculated Property
Cp,gas	473.29	J/mol×K	596.11	Calculated Property
Cp,gas	504.00	J/mol×K	676.89	Calculated Property
Cp,gas	530.00	J/mol×K	757.67	Calculated Property
Cp,gas	551.61	J/mol×K	838.44	Calculated Property
Cp,gas	569.16	J/mol×K	919.22	Calculated Property
Cp,gas	582.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to TEFLUBENZURON.

Sources

• 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

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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