Chemical Properties of Hexanoic acid, 4-oxo-, methyl ester (CAS 2955-62-6)

InChI

InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h3-5H2,1-2H3

InChI Key

FOGHPENQGFYWSI-UHFFFAOYSA-N

Formula

C7H12O3

SMILES

CCC(=O)CCC(=O)OC

Molecular Weight¹

144.17

CAS

2955-62-6

Other Names

• Methyl 4-oxohexanoate
• Methyl homolevulinate

• 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	[171.24; 377.59]	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			2.92930e+01
Coefficient B			5.86040e-01
Coefficient C			-2.43700e-04
Coefficient D			5.96000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.24	J/mol×K	273.00	Calculated Property
Cp,gas	206.38	J/mol×K	353.78	Calculated Property
Cp,gas	238.43	J/mol×K	434.56	Calculated Property
Cp,gas	267.40	J/mol×K	515.33	Calculated Property
Cp,gas	293.30	J/mol×K	596.11	Calculated Property
Cp,gas	316.17	J/mol×K	676.89	Calculated Property
Cp,gas	336.01	J/mol×K	757.67	Calculated Property
Cp,gas	352.85	J/mol×K	838.44	Calculated Property
Cp,gas	366.70	J/mol×K	919.22	Calculated Property
Cp,gas	377.59	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043890; 0.0003086]	Pa×s	[260.91; 458.89]	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			-1.15820e+01
Coefficient B			1.60547e+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.			260.91
Temperature range, max.			458.89
η	0.0043890	Pa×s	260.91	Calculated Property
η	0.0027200	Pa×s	282.91	Calculated Property
η	0.0018062	Pa×s	304.90	Calculated Property
η	0.0012673	Pa×s	326.90	Calculated Property
η	0.0009299	Pa×s	348.90	Calculated Property
η	0.0007078	Pa×s	370.90	Calculated Property
η	0.0005554	Pa×s	392.89	Calculated Property
η	0.0004472	Pa×s	414.89	Calculated Property
η	0.0003681	Pa×s	436.89	Calculated Property
η	0.0003086	Pa×s	458.89	Calculated Property

Similar Compounds

Find more compounds similar to Hexanoic acid, 4-oxo-, methyl ester.

Sources

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

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