Chemical Properties of Propanedioic acid, dibromo-, dimethyl ester

InChI

InChI=1S/C5H6Br2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3

InChI Key

UWZGBUTYDAIEAS-UHFFFAOYSA-N

Formula

C5H6Br2O4

SMILES

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

Molecular Weight¹

289.91

Other Names

• dimethyl dibromomalonate

• 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).
• I_np : Non-polar retention indices.
• 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	[170.74; 313.11]	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			4.10700e+01
Coefficient B			5.71440e-01
Coefficient C			-3.73600e-04
Coefficient D			7.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.74	J/mol×K	273.00	Calculated Property
Cp,gas	199.76	J/mol×K	353.78	Calculated Property
Cp,gas	224.93	J/mol×K	434.56	Calculated Property
Cp,gas	246.49	J/mol×K	515.33	Calculated Property
Cp,gas	264.67	J/mol×K	596.11	Calculated Property
Cp,gas	279.71	J/mol×K	676.89	Calculated Property
Cp,gas	291.84	J/mol×K	757.67	Calculated Property
Cp,gas	301.29	J/mol×K	838.44	Calculated Property
Cp,gas	308.30	J/mol×K	919.22	Calculated Property
Cp,gas	313.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026023; 0.0002327]	Pa×s	[352.79; 550.63]	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			-1.26714e+01
Coefficient B			2.37078e+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.			352.79
Temperature range, max.			550.63
η	0.0026023	Pa×s	352.79	Calculated Property
η	0.0017546	Pa×s	374.77	Calculated Property
η	0.0012358	Pa×s	396.75	Calculated Property
η	0.0009031	Pa×s	418.74	Calculated Property
η	0.0006809	Pa×s	440.72	Calculated Property
η	0.0005273	Pa×s	462.70	Calculated Property
η	0.0004180	Pa×s	484.68	Calculated Property
η	0.0003381	Pa×s	506.67	Calculated Property
η	0.0002783	Pa×s	528.65	Calculated Property
η	0.0002327	Pa×s	550.63	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, dibromo-, dimethyl 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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