Chemical Properties of Butanoic acid, 2-methyl-3-oxo-, methyl ester

InChI

InChI=1S/C6H10O3/c1-4(5(2)7)6(8)9-3/h4H,1-3H3

InChI Key

NDTWZHURUDSPQV-UHFFFAOYSA-N

Formula

C6H10O3

SMILES

COC(=O)C(C)C(C)=O

Molecular Weight¹

130.14

Other Names

• Acetoacetic acid, 2-methyl-, methyl ester
• Methyl 2-methyl-3-oxobutyrate
• Methyl «alpha»-methylacetoacetate
• methyl 2-methyl-3-oxobutanoate
• methyl 2-methylacetoacetate

• 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	[149.71; 326.54]	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			2.85200e+01
Coefficient B			4.96960e-01
Coefficient C			-1.92500e-04
Coefficient D			-6.44000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.71	J/mol×K	273.00	Calculated Property
Cp,gas	179.96	J/mol×K	353.78	Calculated Property
Cp,gas	207.60	J/mol×K	434.56	Calculated Property
Cp,gas	232.62	J/mol×K	515.33	Calculated Property
Cp,gas	254.99	J/mol×K	596.11	Calculated Property
Cp,gas	274.71	J/mol×K	676.89	Calculated Property
Cp,gas	291.74	J/mol×K	757.67	Calculated Property
Cp,gas	306.07	J/mol×K	838.44	Calculated Property
Cp,gas	317.68	J/mol×K	919.22	Calculated Property
Cp,gas	326.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066230; 0.0002882]	Pa×s	[234.64; 446.77]	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			-1.16194e+01
Coefficient B			1.54913e+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.			234.64
Temperature range, max.			446.77
η	0.0066230	Pa×s	234.64	Calculated Property
η	0.0036252	Pa×s	258.21	Calculated Property
η	0.0021947	Pa×s	281.78	Calculated Property
η	0.0014358	Pa×s	305.35	Calculated Property
η	0.0009982	Pa×s	328.92	Calculated Property
η	0.0007285	Pa×s	352.49	Calculated Property
η	0.0005531	Pa×s	376.06	Calculated Property
η	0.0004338	Pa×s	399.63	Calculated Property
η	0.0003496	Pa×s	423.20	Calculated Property
η	0.0002882	Pa×s	446.77	Calculated Property

Similar Compounds

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

Sources

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

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