Chemical Properties of Hexanoic acid, 3-oxo-, ethyl ester (CAS 3249-68-1)

InChI

InChI=1S/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3

InChI Key

KQWWVLVLVYYYDT-UHFFFAOYSA-N

Formula

C8H14O3

SMILES

CCCC(=O)CC(=O)OCC

Molecular Weight¹

158.19

CAS

3249-68-1

Other Names

• Ethyl «alpha»-butyrylacetate
• Ethyl butyroacetate
• Ethyl butyrylacetate
• Ethyl 3-oxohexanoate
• 3-Keto-n-hexanoic acid ethyl ester

• 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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[192.45; 429.18]	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			2.83840e+01
Coefficient B			6.81040e-01
Coefficient C			-2.98100e-04
Coefficient D			1.78600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	192.45	J/mol×K	273.00	Calculated Property
Cp,gas	232.80	J/mol×K	353.78	Calculated Property
Cp,gas	269.51	J/mol×K	434.56	Calculated Property
Cp,gas	302.62	J/mol×K	515.33	Calculated Property
Cp,gas	332.21	J/mol×K	596.11	Calculated Property
Cp,gas	358.33	J/mol×K	676.89	Calculated Property
Cp,gas	381.03	J/mol×K	757.67	Calculated Property
Cp,gas	400.36	J/mol×K	838.44	Calculated Property
Cp,gas	416.40	J/mol×K	919.22	Calculated Property
Cp,gas	429.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043237; 0.0003037]	Pa×s	[272.18; 473.63]	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			-1.16882e+01
Coefficient B			1.69963e+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.			272.18
Temperature range, max.			473.63
η	0.0043237	Pa×s	272.18	Calculated Property
η	0.0026902	Pa×s	294.56	Calculated Property
η	0.0017898	Pa×s	316.95	Calculated Property
η	0.0012566	Pa×s	339.33	Calculated Property
η	0.0009217	Pa×s	361.71	Calculated Property
η	0.0007009	Pa×s	384.09	Calculated Property
η	0.0005493	Pa×s	406.48	Calculated Property
η	0.0004416	Pa×s	428.86	Calculated Property
η	0.0003628	Pa×s	451.24	Calculated Property
η	0.0003037	Pa×s	473.63	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 3-oxo-, ethyl ester.

Sources

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

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