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_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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.92	kJ/mol	Joback Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	4.882		Crippen Calculated Property
McVol	241.370	ml/mol	McGowan Calculated Property
Inp	[1856.00; 1856.00]
Inp	1856.00		NIST
Inp	1856.00		NIST
Tfus	320.42	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, 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	[357.78; 709.24]	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			-5.10000e+00
Coefficient B			1.67454e+00
Coefficient C			-1.37932e-03
Coefficient D			4.19120e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	357.78	J/mol×K	273.00	Calculated Property
Cp,gas	433.24	J/mol×K	353.78	Calculated Property
Cp,gas	496.51	J/mol×K	434.56	Calculated Property
Cp,gas	548.90	J/mol×K	515.33	Calculated Property
Cp,gas	591.75	J/mol×K	596.11	Calculated Property
Cp,gas	626.39	J/mol×K	676.89	Calculated Property
Cp,gas	654.13	J/mol×K	757.67	Calculated Property
Cp,gas	676.30	J/mol×K	838.44	Calculated Property
Cp,gas	694.23	J/mol×K	919.22	Calculated Property
Cp,gas	709.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Chlorbromuron, HFBA.

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
• Crippen Method
• Joback 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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