Chemical Properties of 3-Bromobenzoic acid, 2-chlorophenyl ester

InChI

InChI=1S/C13H8BrClO2/c14-10-5-3-4-9(8-10)13(16)17-12-7-2-1-6-11(12)15/h1-8H

InChI Key

GLMMOSUCBIPMQS-UHFFFAOYSA-N

Formula

C13H8BrClO2

SMILES

O=C(Oc1ccccc1Cl)c1cccc(Br)c1

Molecular Weight¹

311.56

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[215.58; 472.33]	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			-1.65000e+00
Coefficient B			9.52200e-01
Coefficient C			-6.08920e-04
Coefficient D			1.30700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.58	J/mol×K	273.00	Calculated Property
Cp,gas	264.79	J/mol×K	353.78	Calculated Property
Cp,gas	307.87	J/mol×K	434.56	Calculated Property
Cp,gas	345.23	J/mol×K	515.33	Calculated Property
Cp,gas	377.27	J/mol×K	596.11	Calculated Property
Cp,gas	404.42	J/mol×K	676.89	Calculated Property
Cp,gas	427.09	J/mol×K	757.67	Calculated Property
Cp,gas	445.69	J/mol×K	838.44	Calculated Property
Cp,gas	460.63	J/mol×K	919.22	Calculated Property
Cp,gas	472.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009195; 0.0001445]	Pa×s	[446.20; 688.74]	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			-1.22464e+01
Coefficient B			2.34466e+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.			446.20
Temperature range, max.			688.74
η	0.0009195	Pa×s	446.20	Calculated Property
η	0.0006817	Pa×s	473.15	Calculated Property
η	0.0005219	Pa×s	500.10	Calculated Property
η	0.0004107	Pa×s	527.05	Calculated Property
η	0.0003308	Pa×s	554.00	Calculated Property
η	0.0002718	Pa×s	580.94	Calculated Property
η	0.0002273	Pa×s	607.89	Calculated Property
η	0.0001929	Pa×s	634.84	Calculated Property
η	0.0001660	Pa×s	661.79	Calculated Property
η	0.0001445	Pa×s	688.74	Calculated Property

Similar Compounds

Find more compounds similar to 3-Bromobenzoic acid, 2-chlorophenyl ester.

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

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