Chemical Properties of 6-Bromohexanoic acid, 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C12H12BrCl3O2/c13-5-3-1-2-4-12(17)18-11-7-9(15)8(14)6-10(11)16/h6-7H,1-5H2

InChI Key

RFAYCUNNCKCRHH-UHFFFAOYSA-N

Formula

C12H12BrCl3O2

SMILES

O=C(CCCCCBr)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

374.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

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	[280.98; 552.76]	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			7.32450e+01
Coefficient B			8.90200e-01
Coefficient C			-4.97080e-04
Coefficient D			8.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	280.98	J/mol×K	273.00	Calculated Property
Cp,gas	329.79	J/mol×K	353.78	Calculated Property
Cp,gas	373.31	J/mol×K	434.56	Calculated Property
Cp,gas	411.81	J/mol×K	515.33	Calculated Property
Cp,gas	445.57	J/mol×K	596.11	Calculated Property
Cp,gas	474.86	J/mol×K	676.89	Calculated Property
Cp,gas	499.95	J/mol×K	757.67	Calculated Property
Cp,gas	521.11	J/mol×K	838.44	Calculated Property
Cp,gas	538.63	J/mol×K	919.22	Calculated Property
Cp,gas	552.77	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007053; 0.0001482]	Pa×s	[480.87; 686.06]	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			-1.24734e+01
Coefficient B			2.50846e+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.			480.87
Temperature range, max.			686.06
η	0.0007053	Pa×s	480.87	Calculated Property
η	0.0005569	Pa×s	503.67	Calculated Property
η	0.0004489	Pa×s	526.47	Calculated Property
η	0.0003683	Pa×s	549.27	Calculated Property
η	0.0003070	Pa×s	572.06	Calculated Property
η	0.0002596	Pa×s	594.86	Calculated Property
η	0.0002221	Pa×s	617.66	Calculated Property
η	0.0001922	Pa×s	640.46	Calculated Property
η	0.0001680	Pa×s	663.26	Calculated Property
η	0.0001482	Pa×s	686.06	Calculated Property

Similar Compounds

Find more compounds similar to 6-Bromohexanoic acid, 2,4,5-trichlorophenyl 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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