Chemical Properties of Butanoic acid, 2-methyl-3-oxo-, ethyl ester (CAS 609-14-3)

InChI

InChI=1S/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3

InChI Key

FNENWZWNOPCZGK-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

CCOC(=O)C(C)C(C)=O

Molecular Weight¹

144.17

CAS

609-14-3

Other Names

• Acetoacetic acid, 2-methyl-, ethyl ester
• «alpha»-Methylacetoacetic ester
• Ethyl «alpha»-acetylpropionate
• Ethyl «alpha»-methylacetoacetate
• Ethyl «alpha»-methylacetylacetate
• Ethyl 2-acetylpropionate
• Ethyl 2-methyl-3-oxobutanoate
• Ethyl 2-methyl-3-oxobutyrate
• Ethyl 2-methylacetoacetate
• Ethyl methylacetoacetate
• 2-Methylacetoacetic acid ethyl ester
• Ethyl ester of 2-methyl-3-oxobutanoic acid
• 2-Methyl-3-oxobutanoic acid ethyl ester
• NSC 1102

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.93; 378.13]	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			2.76110e+01
Coefficient B			5.91960e-01
Coefficient C			-2.46900e-04
Coefficient D			5.46000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.93	J/mol×K	273.00	Calculated Property
Cp,gas	206.37	J/mol×K	353.78	Calculated Property
Cp,gas	238.67	J/mol×K	434.56	Calculated Property
Cp,gas	267.85	J/mol×K	515.33	Calculated Property
Cp,gas	293.91	J/mol×K	596.11	Calculated Property
Cp,gas	316.87	J/mol×K	676.89	Calculated Property
Cp,gas	336.76	J/mol×K	757.67	Calculated Property
Cp,gas	353.59	J/mol×K	838.44	Calculated Property
Cp,gas	367.37	J/mol×K	919.22	Calculated Property
Cp,gas	378.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0065158; 0.0002874]	Pa×s	[245.91; 461.41]	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			-1.17160e+01
Coefficient B			1.64329e+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.			245.91
Temperature range, max.			461.41
η	0.0065158	Pa×s	245.91	Calculated Property
η	0.0036013	Pa×s	269.85	Calculated Property
η	0.0021924	Pa×s	293.80	Calculated Property
η	0.0014384	Pa×s	317.74	Calculated Property
η	0.0010011	Pa×s	341.69	Calculated Property
η	0.0007306	Pa×s	365.63	Calculated Property
η	0.0005543	Pa×s	389.58	Calculated Property
η	0.0004342	Pa×s	413.52	Calculated Property
η	0.0003493	Pa×s	437.46	Calculated Property
η	0.0002874	Pa×s	461.41	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-methyl-3-oxo-, ethyl ester.

Sources

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

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