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_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_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

Property	Value	Unit	Source
ΔfG°	-648.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-862.19	kJ/mol	Joback Calculated Property
ΔfusH°	51.87	kJ/mol	Joback Calculated Property
ΔvapH°	87.15	kJ/mol	Joback Calculated Property
log10WS	[-7.42; -7.28]
log10WS	-7.42		Aq. Sol...
log10WS	-7.28		Estimat...
logPoct/wat	4.512		Crippen Calculated Property
McVol	215.260	ml/mol	McGowan Calculated Property
Pc	2284.95	kPa	Joback Calculated Property
Tboil	882.98	K	Joback Calculated Property
Tc	1105.65	K	Joback Calculated Property
Tfus	495.65	K	Aq. Sol...
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[561.77; 595.86]	J/mol×K	[882.98; 1105.65]
Cp,gas	561.77	J/mol×K	882.98	Joback Calculated Property
Cp,gas	569.32	J/mol×K	920.09	Joback Calculated Property
Cp,gas	576.09	J/mol×K	957.20	Joback Calculated Property
Cp,gas	582.10	J/mol×K	994.31	Joback Calculated Property
Cp,gas	587.37	J/mol×K	1031.43	Joback Calculated Property
Cp,gas	591.95	J/mol×K	1068.54	Joback Calculated Property
Cp,gas	595.86	J/mol×K	1105.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to TEFLUBENZURON.

Sources

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

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