Chemical Properties of Chlorbromuron, HFBA

InChI

InChI=1S/C13H9BrClF7N2O3/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

APQJFUKBFABUNG-UHFFFAOYSA-N

Formula

C13H9BrClF7N2O3

SMILES

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

Molecular Weight¹

489.57

• 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).
• 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
ΔfG°	-1342.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-1708.81	kJ/mol	Joback Calculated Property
ΔfusH°	41.92	kJ/mol	Joback Calculated Property
ΔvapH°	69.33	kJ/mol	Joback Calculated Property
log10WS	-5.79		Crippen Calculated Property
logPoct/wat	4.882		Crippen Calculated Property
McVol	241.370	ml/mol	McGowan Calculated Property
Pc	1913.58	kPa	Joback Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tboil	777.31	K	Joback Calculated Property
Tc	974.57	K	Joback Calculated Property
Tfus	575.87	K	Joback Calculated Property
Vc	0.925	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[659.98; 704.75]	J/mol×K	[777.31; 974.57]
Cp,gas	659.98	J/mol×K	777.31	Joback Calculated Property
Cp,gas	669.09	J/mol×K	810.19	Joback Calculated Property
Cp,gas	677.43	J/mol×K	843.06	Joback Calculated Property
Cp,gas	685.07	J/mol×K	875.94	Joback Calculated Property
Cp,gas	692.11	J/mol×K	908.81	Joback Calculated Property
Cp,gas	698.64	J/mol×K	941.69	Joback Calculated Property
Cp,gas	704.75	J/mol×K	974.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chlorbromuron, HFBA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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