Chemical Properties of Butanoic acid, 4-chloro-4-oxo-, ethyl ester

InChI

InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3

InChI Key

IXZFDJXHLQQSGQ-UHFFFAOYSA-N

Formula

C6H9ClO3

SMILES

CCOC(=O)CCC(=O)Cl

Molecular Weight¹

164.59

Other Names

• Propionic acid, 3-(chloroformyl)-, ethyl ester
• «beta»-Carbethoxypropionyl chloride
• «beta»-Ethoxycarbonylpropionyl chloride
• Ethyl succinoyl chloride
• Ethyl succinyl chloride
• Ethyl 3-(chloroformyl)propionate
• 3-Carboethoxypropionyl chloride
• Ethyl 4-chloro-4-oxobutanoate

• 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	[163.43; 334.27]	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			4.30930e+01
Coefficient B			4.97820e-01
Coefficient C			-2.09700e-04
Coefficient D			3.06000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.43	J/mol×K	273.00	Calculated Property
Cp,gas	193.10	J/mol×K	353.78	Calculated Property
Cp,gas	220.08	J/mol×K	434.56	Calculated Property
Cp,gas	244.37	J/mol×K	515.33	Calculated Property
Cp,gas	265.98	J/mol×K	596.11	Calculated Property
Cp,gas	284.93	J/mol×K	676.89	Calculated Property
Cp,gas	301.23	J/mol×K	757.67	Calculated Property
Cp,gas	314.87	J/mol×K	838.44	Calculated Property
Cp,gas	325.89	J/mol×K	919.22	Calculated Property
Cp,gas	334.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039831; 0.0003359]	Pa×s	[279.56; 474.52]	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			-1.15446e+01
Coefficient B			1.68263e+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.			279.56
Temperature range, max.			474.52
η	0.0039831	Pa×s	279.56	Calculated Property
η	0.0025836	Pa×s	301.22	Calculated Property
η	0.0017761	Pa×s	322.89	Calculated Property
η	0.0012799	Pa×s	344.55	Calculated Property
η	0.0009588	Pa×s	366.21	Calculated Property
η	0.0007418	Pa×s	387.87	Calculated Property
η	0.0005897	Pa×s	409.54	Calculated Property
η	0.0004797	Pa×s	431.20	Calculated Property
η	0.0003980	Pa×s	452.86	Calculated Property
η	0.0003359	Pa×s	474.52	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-chloro-4-oxo-, ethyl ester.

Sources

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

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