Chemical Properties of Methyl 2-bromo-3,3-dichloro-propanoate

InChI

InChI=1S/C4H5BrCl2O2/c1-9-4(8)2(5)3(6)7/h2-3H,1H3

InChI Key

ZRLWLEOCQKMHJV-UHFFFAOYSA-N

Formula

C4H5BrCl2O2

SMILES

COC(=O)C(Br)C(Cl)Cl

Molecular Weight¹

235.89

• ω : Acentric Factor.
• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[146.84; 260.49]	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			5.52700e+01
Coefficient B			3.92620e-01
Coefficient C			-2.17800e-04
Coefficient D			3.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	146.84	J/mol×K	273.00	Calculated Property
Cp,gas	168.26	J/mol×K	353.78	Calculated Property
Cp,gas	187.25	J/mol×K	434.56	Calculated Property
Cp,gas	203.92	J/mol×K	515.33	Calculated Property
Cp,gas	218.36	J/mol×K	596.11	Calculated Property
Cp,gas	230.67	J/mol×K	676.89	Calculated Property
Cp,gas	240.94	J/mol×K	757.67	Calculated Property
Cp,gas	249.27	J/mol×K	838.44	Calculated Property
Cp,gas	255.75	J/mol×K	919.22	Calculated Property
Cp,gas	260.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064432; 0.0002973]	Pa×s	[266.81; 495.10]	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			-1.17156e+01
Coefficient B			1.77986e+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.			266.81
Temperature range, max.			495.10
η	0.0064432	Pa×s	266.81	Calculated Property
η	0.0036106	Pa×s	292.18	Calculated Property
η	0.0022195	Pa×s	317.54	Calculated Property
η	0.0014662	Pa×s	342.91	Calculated Property
η	0.0010255	Pa×s	368.27	Calculated Property
η	0.0007510	Pa×s	393.64	Calculated Property
η	0.0005712	Pa×s	419.00	Calculated Property
η	0.0004482	Pa×s	444.37	Calculated Property
η	0.0003610	Pa×s	469.73	Calculated Property
η	0.0002973	Pa×s	495.10	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2-bromo-3,3-dichloro-propanoate.

Sources

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

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