Chemical Properties of Propanedioic acid, bromo-, dimethyl ester (CAS 868-26-8)

InChI

InChI=1S/C5H7BrO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3

InChI Key

NEMOJKROKMMQBQ-UHFFFAOYSA-N

Formula

C5H7BrO4

SMILES

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

Molecular Weight¹

211.01

CAS

868-26-8

Other Names

• 2-Bromo dimethyl malonate
• Dimethyl bromomalonate

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.90; 303.11]	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			5.56700e+01
Coefficient B			4.13340e-01
Coefficient C			-1.33600e-04
Coefficient D			-3.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.90	J/mol×K	273.00	Calculated Property
Cp,gas	183.75	J/mol×K	353.78	Calculated Property
Cp,gas	207.41	J/mol×K	434.56	Calculated Property
Cp,gas	228.78	J/mol×K	515.33	Calculated Property
Cp,gas	247.75	J/mol×K	596.11	Calculated Property
Cp,gas	264.23	J/mol×K	676.89	Calculated Property
Cp,gas	278.10	J/mol×K	757.67	Calculated Property
Cp,gas	289.28	J/mol×K	838.44	Calculated Property
Cp,gas	297.65	J/mol×K	919.22	Calculated Property
Cp,gas	303.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053164; 0.0002674]	Pa×s	[275.57; 489.89]	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			-1.20711e+01
Coefficient B			1.88328e+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.			275.57
Temperature range, max.			489.89
η	0.0053164	Pa×s	275.57	Calculated Property
η	0.0030870	Pa×s	299.38	Calculated Property
η	0.0019420	Pa×s	323.20	Calculated Property
η	0.0013019	Pa×s	347.01	Calculated Property
η	0.0009188	Pa×s	370.82	Calculated Property
η	0.0006763	Pa×s	394.64	Calculated Property
η	0.0005154	Pa×s	418.45	Calculated Property
η	0.0004045	Pa×s	442.26	Calculated Property
η	0.0003254	Pa×s	466.08	Calculated Property
η	0.0002674	Pa×s	489.89	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, bromo-, dimethyl ester.

Sources

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

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