Chemical Properties of METHYL 3-BROMO-2,2-DICHLORO-PROPANOATE

InChI

InChI=1S/C4H5BrCl2O2/c1-9-3(8)4(6,7)2-5/h2H2,1H3

InChI Key

AUHZFXMFSGANDP-UHFFFAOYSA-N

Formula

C4H5BrCl2O2

SMILES

COC(=O)C(Cl)(Cl)CBr

Molecular Weight¹

235.89

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, 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	[146.01; 260.88]	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			3.41610e+01
Coefficient B			5.06620e-01
Coefficient C			-3.83200e-04
Coefficient D			1.03300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.01	J/mol×K	273.00	Calculated Property
Cp,gas	170.01	J/mol×K	353.78	Calculated Property
Cp,gas	190.43	J/mol×K	434.56	Calculated Property
Cp,gas	207.61	J/mol×K	515.33	Calculated Property
Cp,gas	221.88	J/mol×K	596.11	Calculated Property
Cp,gas	233.55	J/mol×K	676.89	Calculated Property
Cp,gas	242.96	J/mol×K	757.67	Calculated Property
Cp,gas	250.44	J/mol×K	838.44	Calculated Property
Cp,gas	256.30	J/mol×K	919.22	Calculated Property
Cp,gas	260.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041593; 0.0003147]	Pa×s	[299.23; 496.41]	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			-1.19816e+01
Coefficient B			1.94476e+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.			299.23
Temperature range, max.			496.41
η	0.0041593	Pa×s	299.23	Calculated Property
η	0.0026697	Pa×s	321.14	Calculated Property
η	0.0018134	Pa×s	343.05	Calculated Property
η	0.0012903	Pa×s	364.96	Calculated Property
η	0.0009542	Pa×s	386.86	Calculated Property
η	0.0007288	Pa×s	408.77	Calculated Property
η	0.0005722	Pa×s	430.68	Calculated Property
η	0.0004598	Pa×s	452.59	Calculated Property
η	0.0003771	Pa×s	474.50	Calculated Property
η	0.0003147	Pa×s	496.41	Calculated Property

Similar Compounds

Find more compounds similar to METHYL 3-BROMO-2,2-DICHLORO-PROPANOATE.

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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