Chemical Properties of Butanoic acid, 4-chloro-3-oxo-, methyl ester

InChI

InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3

InChI Key

HFLMYYLFSNEOOT-UHFFFAOYSA-N

Formula

C5H7ClO3

SMILES

COC(=O)CC(=O)CCl

Molecular Weight¹

150.56

Other Names

• Acetoacetic acid, 4-chloro-, methyl ester
• «gamma»-Chloroacetoacetic acid, methyl ester
• Methyl «gamma»-chloroacetoacetate
• Methyl «omega»-chloroacetoacetate
• Methyl 4-chloroacetoacetate
• methyl 4-chloro-3-oxobutyrate

• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[142.22; 282.68]	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			4.40020e+01
Coefficient B			4.02820e-01
Coefficient C			-1.55300e-04
Coefficient D			-8.84000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	142.22	J/mol×K	273.00	Calculated Property
Cp,gas	166.68	J/mol×K	353.78	Calculated Property
Cp,gas	189.00	J/mol×K	434.56	Calculated Property
Cp,gas	209.14	J/mol×K	515.33	Calculated Property
Cp,gas	227.07	J/mol×K	596.11	Calculated Property
Cp,gas	242.77	J/mol×K	676.89	Calculated Property
Cp,gas	256.21	J/mol×K	757.67	Calculated Property
Cp,gas	267.36	J/mol×K	838.44	Calculated Property
Cp,gas	276.19	J/mol×K	919.22	Calculated Property
Cp,gas	282.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0040303; 0.0003416]	Pa×s	[268.29; 460.07]	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			-1.14346e+01
Coefficient B			1.58847e+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.			268.29
Temperature range, max.			460.07
η	0.0040303	Pa×s	268.29	Calculated Property
η	0.0026070	Pa×s	289.60	Calculated Property
η	0.0017901	Pa×s	310.91	Calculated Property
η	0.0012899	Pa×s	332.22	Calculated Property
η	0.0009669	Pa×s	353.53	Calculated Property
η	0.0007490	Pa×s	374.83	Calculated Property
η	0.0005963	Pa×s	396.14	Calculated Property
η	0.0004859	Pa×s	417.45	Calculated Property
η	0.0004039	Pa×s	438.76	Calculated Property
η	0.0003416	Pa×s	460.07	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-chloro-3-oxo-, methyl ester.

Sources

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

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