Chemical Properties of 2-Bromobenzoic acid, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H6BrCl3O2/c10-7-4-2-1-3-6(7)8(14)15-5-9(11,12)13/h1-4H,5H2

InChI Key

VIBXCYRBKKZPAJ-UHFFFAOYSA-N

Formula

C9H6BrCl3O2

SMILES

O=C(OCC(Cl)(Cl)Cl)c1ccccc1Br

Molecular Weight¹

332.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[210.78; 405.54]	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			2.29010e+01
Coefficient B			8.50000e-01
Coefficient C			-6.39760e-04
Coefficient D			1.72400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.78	J/mol×K	273.00	Calculated Property
Cp,gas	251.17	J/mol×K	353.78	Calculated Property
Cp,gas	285.61	J/mol×K	434.56	Calculated Property
Cp,gas	314.63	J/mol×K	515.33	Calculated Property
Cp,gas	338.78	J/mol×K	596.11	Calculated Property
Cp,gas	358.60	J/mol×K	676.89	Calculated Property
Cp,gas	374.64	J/mol×K	757.67	Calculated Property
Cp,gas	387.45	J/mol×K	838.44	Calculated Property
Cp,gas	397.57	J/mol×K	919.22	Calculated Property
Cp,gas	405.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012749; 0.0001587]	Pa×s	[424.44; 647.28]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27176e+01
Coefficient B			2.56904e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			424.44
Temperature range, max.			647.28
η	0.0012749	Pa×s	424.44	Calculated Property
η	0.0009133	Pa×s	449.20	Calculated Property
η	0.0006774	Pa×s	473.96	Calculated Property
η	0.0005176	Pa×s	498.72	Calculated Property
η	0.0004056	Pa×s	523.48	Calculated Property
η	0.0003250	Pa×s	548.24	Calculated Property
η	0.0002654	Pa×s	573.00	Calculated Property
η	0.0002204	Pa×s	597.76	Calculated Property
η	0.0001858	Pa×s	622.52	Calculated Property
η	0.0001587	Pa×s	647.28	Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromobenzoic acid, 2,2,2-trichloroethyl ester.

Sources

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

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