Chemical Properties of Dimethyl 1-bromoethylmalonate

InChI

InChI=1S/C7H11BrO4/c1-4(8)5(6(9)11-2)7(10)12-3/h4-5H,1-3H3

InChI Key

FPEOKHVGTMWSAN-UHFFFAOYSA-N

Formula

C7H11BrO4

SMILES

COC(=O)C(C(=O)OC)C(C)Br

Molecular Weight¹

239.07

• 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	[200.01; 406.83]	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			5.21700e+01
Coefficient B			6.09260e-01
Coefficient C			-2.45600e-04
Coefficient D			-9.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.01	J/mol×K	273.00	Calculated Property
Cp,gas	236.58	J/mol×K	353.78	Calculated Property
Cp,gas	269.81	J/mol×K	434.56	Calculated Property
Cp,gas	299.69	J/mol×K	515.33	Calculated Property
Cp,gas	326.18	J/mol×K	596.11	Calculated Property
Cp,gas	349.25	J/mol×K	676.89	Calculated Property
Cp,gas	368.88	J/mol×K	757.67	Calculated Property
Cp,gas	385.04	J/mol×K	838.44	Calculated Property
Cp,gas	397.70	J/mol×K	919.22	Calculated Property
Cp,gas	406.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065560; 0.0002190]	Pa×s	[283.11; 520.61]	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			-1.24783e+01
Coefficient B			2.10942e+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.			283.11
Temperature range, max.			520.61
η	0.0065560	Pa×s	283.11	Calculated Property
η	0.0034732	Pa×s	309.50	Calculated Property
η	0.0020332	Pa×s	335.89	Calculated Property
η	0.0012868	Pa×s	362.28	Calculated Property
η	0.0008666	Pa×s	388.67	Calculated Property
η	0.0006137	Pa×s	415.05	Calculated Property
η	0.0004529	Pa×s	441.44	Calculated Property
η	0.0003459	Pa×s	467.83	Calculated Property
η	0.0002719	Pa×s	494.22	Calculated Property
η	0.0002190	Pa×s	520.61	Calculated Property

Similar Compounds

Find more compounds similar to Dimethyl 1-bromoethylmalonate.

Sources

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

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