Chemical Properties of BUTANOIC ACID, 4-METHOXY-3-OXO-, METHYL ESTER

InChI

InChI=1S/C6H10O4/c1-9-4-5(7)3-6(8)10-2/h3-4H2,1-2H3

InChI Key

QGBPKJFJAVDUNC-UHFFFAOYSA-N

Formula

C6H10O4

SMILES

COCC(=O)CC(=O)OC

Molecular Weight¹

146.14

Other Names

• Methyl methoxyacetoacetate
• methyl 4-methoxy-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_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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.43; 344.50]	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			5.57020e+01
Coefficient B			4.27840e-01
Coefficient C			-7.83000e-05
Coefficient D			-6.07400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.43	J/mol×K	273.00	Calculated Property
Cp,gas	194.57	J/mol×K	353.78	Calculated Property
Cp,gas	221.85	J/mol×K	434.56	Calculated Property
Cp,gas	247.08	J/mol×K	515.33	Calculated Property
Cp,gas	270.05	J/mol×K	596.11	Calculated Property
Cp,gas	290.59	J/mol×K	676.89	Calculated Property
Cp,gas	308.49	J/mol×K	757.67	Calculated Property
Cp,gas	323.58	J/mol×K	838.44	Calculated Property
Cp,gas	335.64	J/mol×K	919.22	Calculated Property
Cp,gas	344.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031911; 0.0002749]	Pa×s	[271.87; 459.28]	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			-1.17554e+01
Coefficient B			1.63340e+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.			271.87
Temperature range, max.			459.28
η	0.0031911	Pa×s	271.87	Calculated Property
η	0.0020812	Pa×s	292.69	Calculated Property
η	0.0014366	Pa×s	313.52	Calculated Property
η	0.0010385	Pa×s	334.34	Calculated Property
η	0.0007799	Pa×s	355.16	Calculated Property
η	0.0006045	Pa×s	375.99	Calculated Property
η	0.0004813	Pa×s	396.81	Calculated Property
η	0.0003920	Pa×s	417.63	Calculated Property
η	0.0003255	Pa×s	438.45	Calculated Property
η	0.0002749	Pa×s	459.28	Calculated Property

Similar Compounds

Find more compounds similar to BUTANOIC ACID, 4-METHOXY-3-OXO-, METHYL ESTER.

Sources

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

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