Chemical Properties of Propanedioic acid, bromomethyl-, diethyl ester

InChI

InChI=1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3

InChI Key

CSLQAXTUGPUBCW-UHFFFAOYSA-N

Formula

C8H13BrO4

SMILES

CCOC(=O)C(C)(Br)C(=O)OCC

Molecular Weight¹

253.09

Other Names

• Diethyl bromomethylmalonate
• Diethyl 2-bromo-2-methylmalonate
• Diethyl methylbromomalonate
• Malonic acid, bromomethyl-, diethyl ester
• propanedioic acid, 2-chloro-2-methyl-, diethyl ester

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[220.39; 458.81]	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			3.01520e+01
Coefficient B			8.18260e-01
Coefficient C			-4.65400e-04
Coefficient D			7.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.39	J/mol×K	273.00	Calculated Property
Cp,gas	264.74	J/mol×K	353.78	Calculated Property
Cp,gas	304.07	J/mol×K	434.56	Calculated Property
Cp,gas	338.61	J/mol×K	515.33	Calculated Property
Cp,gas	368.60	J/mol×K	596.11	Calculated Property
Cp,gas	394.30	J/mol×K	676.89	Calculated Property
Cp,gas	415.92	J/mol×K	757.67	Calculated Property
Cp,gas	433.72	J/mol×K	838.44	Calculated Property
Cp,gas	447.94	J/mol×K	919.22	Calculated Property
Cp,gas	458.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035573; 0.0002114]	Pa×s	[326.80; 535.32]	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			-1.28862e+01
Coefficient B			2.36848e+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.			326.80
Temperature range, max.			535.32
η	0.0035573	Pa×s	326.80	Calculated Property
η	0.0022016	Pa×s	349.97	Calculated Property
η	0.0014462	Pa×s	373.14	Calculated Property
η	0.0009979	Pa×s	396.31	Calculated Property
η	0.0007173	Pa×s	419.48	Calculated Property
η	0.0005338	Pa×s	442.65	Calculated Property
η	0.0004091	Pa×s	465.82	Calculated Property
η	0.0003215	Pa×s	488.98	Calculated Property
η	0.0002582	Pa×s	512.15	Calculated Property
η	0.0002114	Pa×s	535.32	Calculated Property

Similar Compounds

Find more compounds similar to Propanedioic acid, bromomethyl-, diethyl ester.

Sources

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

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