Chemical Properties of Propanoic acid, 3-bromo-2-oxo-, ethyl ester (CAS 70-23-5)

InChI

InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3

InChI Key

VICYTAYPKBLQFB-UHFFFAOYSA-N

Formula

C5H7BrO3

SMILES

CCOC(=O)C(=O)CBr

Molecular Weight¹

195.01

CAS

70-23-5

Other Names

• Pyruvic acid, bromo-, ethyl ester
• «beta»-Bromopyruvic acid ethyl ester
• Ethyl bromopyruvate
• Bromopyruvic acid ethyl ester
• Ethyl 3-bromopyruvate

• 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_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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.80; 283.48]	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			3.93020e+01
Coefficient B			4.34220e-01
Coefficient C			-2.06300e-04
Coefficient D			1.62600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.80	J/mol×K	273.00	Calculated Property
Cp,gas	167.82	J/mol×K	353.78	Calculated Property
Cp,gas	190.37	J/mol×K	434.56	Calculated Property
Cp,gas	210.51	J/mol×K	515.33	Calculated Property
Cp,gas	228.28	J/mol×K	596.11	Calculated Property
Cp,gas	243.74	J/mol×K	676.89	Calculated Property
Cp,gas	256.94	J/mol×K	757.67	Calculated Property
Cp,gas	267.93	J/mol×K	838.44	Calculated Property
Cp,gas	276.76	J/mol×K	919.22	Calculated Property
Cp,gas	283.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033728; 0.0003680]	Pa×s	[298.17; 487.30]	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			-1.13999e+01
Coefficient B			1.70193e+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.			298.17
Temperature range, max.			487.30
η	0.0033728	Pa×s	298.17	Calculated Property
η	0.0023162	Pa×s	319.18	Calculated Property
η	0.0016662	Pa×s	340.20	Calculated Property
η	0.0012455	Pa×s	361.21	Calculated Property
η	0.0009613	Pa×s	382.23	Calculated Property
η	0.0007622	Pa×s	403.24	Calculated Property
η	0.0006184	Pa×s	424.26	Calculated Property
η	0.0005117	Pa×s	445.27	Calculated Property
η	0.0004308	Pa×s	466.28	Calculated Property
η	0.0003680	Pa×s	487.30	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-bromo-2-oxo-, ethyl ester.

Sources

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

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