Chemical Properties of Methyl 2,3-bromochloropropanoate

InChI

InChI=1S/C4H6BrClO2/c1-8-4(7)3(5)2-6/h3H,2H2,1H3

InChI Key

NEVWUGHIWINQQQ-UHFFFAOYSA-N

Formula

C4H6BrClO2

SMILES

COC(=O)C(Br)CCl

Molecular Weight¹

201.45

• 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).
• I_np : Non-polar retention indices.
• 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	[133.75; 251.68]	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			4.40610e+01
Coefficient B			3.79920e-01
Coefficient C			-1.94200e-04
Coefficient D			2.19000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.75	J/mol×K	273.00	Calculated Property
Cp,gas	155.13	J/mol×K	353.78	Calculated Property
Cp,gas	174.28	J/mol×K	434.56	Calculated Property
Cp,gas	191.27	J/mol×K	515.33	Calculated Property
Cp,gas	206.17	J/mol×K	596.11	Calculated Property
Cp,gas	219.04	J/mol×K	676.89	Calculated Property
Cp,gas	229.96	J/mol×K	757.67	Calculated Property
Cp,gas	238.99	J/mol×K	838.44	Calculated Property
Cp,gas	246.21	J/mol×K	919.22	Calculated Property
Cp,gas	251.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0054631; 0.0003217]	Pa×s	[251.89; 461.50]	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			-1.14455e+01
Coefficient B			1.57072e+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.			251.89
Temperature range, max.			461.50
η	0.0054631	Pa×s	251.89	Calculated Property
η	0.0032228	Pa×s	275.18	Calculated Property
η	0.0020645	Pa×s	298.47	Calculated Property
η	0.0014105	Pa×s	321.76	Calculated Property
η	0.0010146	Pa×s	345.05	Calculated Property
η	0.0007608	Pa×s	368.34	Calculated Property
η	0.0005904	Pa×s	391.63	Calculated Property
η	0.0004714	Pa×s	414.92	Calculated Property
η	0.0003855	Pa×s	438.21	Calculated Property
η	0.0003217	Pa×s	461.50	Calculated Property

Similar Compounds

Find more compounds similar to Methyl 2,3-bromochloropropanoate.

Sources

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

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