Chemical Properties of Pentanoic acid, 2,4-dioxo-, methyl ester (CAS 20577-61-1)

InChI

InChI=1S/C6H8O4/c1-4(7)3-5(8)6(9)10-2/h3H2,1-2H3

InChI Key

OMHOEQINEXASKE-UHFFFAOYSA-N

Formula

C6H8O4

SMILES

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

Molecular Weight¹

144.13

CAS

20577-61-1

Other Names

• methyl acetopyruvate

• 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	[150.95; 315.02]	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			3.75610e+01
Coefficient B			4.63040e-01
Coefficient C			-1.70600e-04
Coefficient D			-1.49800e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	150.95	J/mol×K	273.00	Calculated Property
Cp,gas	179.36	J/mol×K	353.78	Calculated Property
Cp,gas	205.33	J/mol×K	434.56	Calculated Property
Cp,gas	228.82	J/mol×K	515.33	Calculated Property
Cp,gas	249.79	J/mol×K	596.11	Calculated Property
Cp,gas	268.18	J/mol×K	676.89	Calculated Property
Cp,gas	283.94	J/mol×K	757.67	Calculated Property
Cp,gas	297.03	J/mol×K	838.44	Calculated Property
Cp,gas	307.41	J/mol×K	919.22	Calculated Property
Cp,gas	315.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034563; 0.0003563]	Pa×s	[299.57; 488.94]	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			-1.15343e+01
Coefficient B			1.75750e+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.			299.57
Temperature range, max.			488.94
η	0.0034563	Pa×s	299.57	Calculated Property
η	0.0023518	Pa×s	320.61	Calculated Property
η	0.0016779	Pa×s	341.65	Calculated Property
η	0.0012450	Pa×s	362.69	Calculated Property
η	0.0009545	Pa×s	383.73	Calculated Property
η	0.0007523	Pa×s	404.78	Calculated Property
η	0.0006070	Pa×s	425.82	Calculated Property
η	0.0004998	Pa×s	446.86	Calculated Property
η	0.0004188	Pa×s	467.90	Calculated Property
η	0.0003563	Pa×s	488.94	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 2,4-dioxo-, methyl ester.

Sources

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

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