Chemical Properties of Butanoic acid, 4-methoxy-, methyl ester

InChI

InChI=1S/C6H12O3/c1-8-5-3-4-6(7)9-2/h3-5H2,1-2H3

InChI Key

VHDGWXQBVWAMJA-UHFFFAOYSA-N

Formula

C6H12O3

SMILES

COCCCC(=O)OC

Molecular Weight¹

132.16

Other Names

• Butyric acid, 4-methoxy-, methyl ester
• Methyl 4-methoxybutyrate
• Methyl 4-methoxybutanoate

• 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	[164.51; 355.48]	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			4.83430e+01
Coefficient B			4.55840e-01
Coefficient C			-9.70000e-05
Coefficient D			-5.17000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.51	J/mol×K	273.00	Calculated Property
Cp,gas	195.18	J/mol×K	353.78	Calculated Property
Cp,gas	223.87	J/mol×K	434.56	Calculated Property
Cp,gas	250.42	J/mol×K	515.33	Calculated Property
Cp,gas	274.65	J/mol×K	596.11	Calculated Property
Cp,gas	296.42	J/mol×K	676.89	Calculated Property
Cp,gas	315.55	J/mol×K	757.67	Calculated Property
Cp,gas	331.88	J/mol×K	838.44	Calculated Property
Cp,gas	345.24	J/mol×K	919.22	Calculated Property
Cp,gas	355.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042765; 0.0002356]	Pa×s	[221.94; 413.90]	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			-1.17050e+01
Coefficient B			1.38721e+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.			221.94
Temperature range, max.			413.90
η	0.0042765	Pa×s	221.94	Calculated Property
η	0.0024722	Pa×s	243.27	Calculated Property
η	0.0015612	Pa×s	264.60	Calculated Property
η	0.0010559	Pa×s	285.93	Calculated Property
η	0.0007540	Pa×s	307.26	Calculated Property
η	0.0005624	Pa×s	328.59	Calculated Property
η	0.0004348	Pa×s	349.92	Calculated Property
η	0.0003463	Pa×s	371.24	Calculated Property
η	0.0002826	Pa×s	392.57	Calculated Property
η	0.0002356	Pa×s	413.90	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 4-methoxy-, methyl ester.

Sources

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

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