Chemical Properties of Propanedioic acid, bromo-, diethyl ester (CAS 685-87-0)

InChI

InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChI Key

FNJVDWXUKLTFFL-UHFFFAOYSA-N

Formula

C7H11BrO4

SMILES

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

Molecular Weight¹

239.06

CAS

685-87-0

Other Names

• Bromomalonic acid diethyl ester
• Diethyl 2-bromomalonate
• Diethyl «alpha»-bromomalonate
• Ethyl bromomalonate
• diethyl bromomalonate
• malonic acid, bromo-, diethyl ester
• «alpha»-Bromomalonic 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

Property	Value	Unit	Source
ω	0.5638		Relay (1.0) Calculated Property
ΔfG°	-447.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-803.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.22	kJ/mol	Joback Calculated Property
ΔvapH°	66.81	kJ/mol	Relay (1.0) Calculated Property
IE	10.02	eV	Relay (1.0) Calculated Property
log10WS	-1.80		Relay (1.0) Calculated Property
logPoct/wat	0.876		Crippen Calculated Property
McVol	141.870	ml/mol	McGowan Calculated Property
Pc	3376.28	kPa	Joback Calculated Property
Tboil	507.20	K	NIST
Tc	678.37	K	Relay (1.0) Calculated Property
Tfus	290.76	K	Relay (1.0) Calculated Property
Vc	0.520	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.59; 367.58]	J/mol×K	[577.86; 780.93]
Cp,gas	313.59	J/mol×K	577.86	Joback Calculated Property
Cp,gas	323.82	J/mol×K	611.70	Joback Calculated Property
Cp,gas	333.57	J/mol×K	645.55	Joback Calculated Property
Cp,gas	342.82	J/mol×K	679.39	Joback Calculated Property
Cp,gas	351.58	J/mol×K	713.24	Joback Calculated Property
Cp,gas	359.83	J/mol×K	747.08	Joback Calculated Property
Cp,gas	367.58	J/mol×K	780.93	Joback Calculated Property
η	[0.0002309; 0.0020016]	Pa×s	[357.77; 577.86]
η	0.0020016	Pa×s	357.77	Joback Calculated Property
η	0.0011813	Pa×s	394.45	Joback Calculated Property
η	0.0007626	Pa×s	431.13	Joback Calculated Property
η	0.0005273	Pa×s	467.81	Joback Calculated Property
η	0.0003847	Pa×s	504.50	Joback Calculated Property
η	0.0002929	Pa×s	541.18	Joback Calculated Property
η	0.0002309	Pa×s	577.86	Joback Calculated Property

Datasets

Viscosity, Pa*s

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Viscosity, Pa*s - Liquid
303.15	101.30	0.0036
Reference

Similar Compounds

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

Mixtures

• Propanedioic acid, bromo-, diethyl ester + Carbon Tetrachloride
• Trichloromethane + Propanedioic acid, bromo-, diethyl ester

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Speeds of sound, isentropic compressibilities, viscosities, and excess molar volumes of binary mixtures of alkanoates with tetra- and trichloromethanes at 303.15 K
• Joback Method
• McGowan Method
• NIST Webbook

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