Chemical Properties of Pentanoic acid, 4-methyl-3-oxo-, ethyl ester (CAS 7152-15-0)

InChI

InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3

InChI Key

XCLDSQRVMMXWMS-UHFFFAOYSA-N

Formula

C8H14O3

SMILES

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

Molecular Weight¹

158.19

CAS

7152-15-0

Other Names

• Valeric acid, 4-methyl-3-oxo-, ethyl ester
• «gamma»,«gamma»-Dimethylacetoacetic acid ethyl ester
• Ethyl isobutyroylacetate
• Ethyl isobutyrylacetate
• Ethyl 4-methyl-3-oxopentanoate
• Ethyl «alpha» -isobutyroylacetate

• 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	[192.14; 429.72]	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			2.67020e+01
Coefficient B			6.86960e-01
Coefficient C			-3.01300e-04
Coefficient D			1.73600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.14	J/mol×K	273.00	Calculated Property
Cp,gas	232.79	J/mol×K	353.78	Calculated Property
Cp,gas	269.75	J/mol×K	434.56	Calculated Property
Cp,gas	303.08	J/mol×K	515.33	Calculated Property
Cp,gas	332.82	J/mol×K	596.11	Calculated Property
Cp,gas	359.03	J/mol×K	676.89	Calculated Property
Cp,gas	381.78	J/mol×K	757.67	Calculated Property
Cp,gas	401.10	J/mol×K	838.44	Calculated Property
Cp,gas	417.07	J/mol×K	919.22	Calculated Property
Cp,gas	429.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0063052; 0.0002824]	Pa×s	[257.18; 476.02]	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			-1.18222e+01
Coefficient B			1.73745e+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.			257.18
Temperature range, max.			476.02
η	0.0063052	Pa×s	257.18	Calculated Property
η	0.0035177	Pa×s	281.50	Calculated Property
η	0.0021534	Pa×s	305.81	Calculated Property
η	0.0014170	Pa×s	330.13	Calculated Property
η	0.0009876	Pa×s	354.44	Calculated Property
η	0.0007210	Pa×s	378.76	Calculated Property
η	0.0005467	Pa×s	403.07	Calculated Property
η	0.0004278	Pa×s	427.39	Calculated Property
η	0.0003437	Pa×s	451.70	Calculated Property
η	0.0002824	Pa×s	476.02	Calculated Property

Similar Compounds

Find more compounds similar to Pentanoic acid, 4-methyl-3-oxo-, ethyl ester.

Sources

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

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