Chemical Properties of Linuron, HFBA

InChI

InChI=1S/C13H9Cl2F7N2O3/c1-23(27-2)10(26)24(6-3-4-7(14)8(15)5-6)9(25)11(16,17)12(18,19)13(20,21)22/h3-5H,1-2H3

InChI Key

WQKIYZMNEKUMDR-UHFFFAOYSA-N

Formula

C13H9Cl2F7N2O3

SMILES

CON(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)c(Cl)c1

Molecular Weight¹

445.12

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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
ω	0.7709		Relay (... Calculated Property
ΔfG°	-1368.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-1812.76	kJ/mol	Relay (... Calculated Property
ΔfusH°	40.83	kJ/mol	Joback Calculated Property
ΔvapH°	91.16	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	-5.88		Relay (... Calculated Property
logPoct/wat	4.772		Crippen Calculated Property
McVol	236.110	ml/mol	McGowan Calculated Property
Pc	1747.74	kPa	Joback Calculated Property
Inp	[1775.00; 1775.00]
Inp	1775.00		NIST
Inp	1775.00		NIST
Tboil	577.86	K	Relay (... Calculated Property
Tc	787.60	K	Relay (... Calculated Property
Tfus	316.39	K	Relay (... Calculated Property
Vc	0.864	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[650.55; 697.61]	J/mol×K	[748.58; 939.47]
Cp,gas	650.55	J/mol×K	748.58	Joback Calculated Property
Cp,gas	660.20	J/mol×K	780.39	Joback Calculated Property
Cp,gas	669.02	J/mol×K	812.21	Joback Calculated Property
Cp,gas	677.10	J/mol×K	844.02	Joback Calculated Property
Cp,gas	684.50	J/mol×K	875.84	Joback Calculated Property
Cp,gas	691.32	J/mol×K	907.65	Joback Calculated Property
Cp,gas	697.61	J/mol×K	939.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Linuron, HFBA.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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