Chemical Properties of Butanoic acid, 2-butoxy-1-methyl-2-oxoethyl ester

InChI

InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3

InChI Key

NORZZKKLCYMBBF-UHFFFAOYSA-N

Formula

C11H20O4

SMILES

CCCCOC(=O)C(C)OC(=O)CCC

Molecular Weight¹

216.28

Other Names

• Butyric acid, ester with butyl lactate
• Butyl butyryl lactate
• Butyl butyrolactate
• Lactic acid, butyl ester, butyrate
• n-Butyl n-butyryl lactate
• butyl O-butyryllactate

• 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).
• I_p : Polar retention indices.
• 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	[271.19; 603.59]	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			4.20250e+01
Coefficient B			9.45160e-01
Coefficient C			-3.88600e-04
Coefficient D			5.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	271.19	J/mol×K	273.00	Calculated Property
Cp,gas	327.99	J/mol×K	353.78	Calculated Property
Cp,gas	379.78	J/mol×K	434.56	Calculated Property
Cp,gas	426.58	J/mol×K	515.33	Calculated Property
Cp,gas	468.42	J/mol×K	596.11	Calculated Property
Cp,gas	505.30	J/mol×K	676.89	Calculated Property
Cp,gas	537.24	J/mol×K	757.67	Calculated Property
Cp,gas	564.25	J/mol×K	838.44	Calculated Property
Cp,gas	586.37	J/mol×K	919.22	Calculated Property
Cp,gas	603.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061690; 0.0001900]	Pa×s	[283.39; 520.80]	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			-1.27224e+01
Coefficient B			2.16346e+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.			283.39
Temperature range, max.			520.80
η	0.0061690	Pa×s	283.39	Calculated Property
η	0.0032201	Pa×s	309.77	Calculated Property
η	0.0018614	Pa×s	336.15	Calculated Property
η	0.0011654	Pa×s	362.53	Calculated Property
η	0.0007774	Pa×s	388.91	Calculated Property
η	0.0005460	Pa×s	415.29	Calculated Property
η	0.0004000	Pa×s	441.66	Calculated Property
η	0.0003035	Pa×s	468.04	Calculated Property
η	0.0002372	Pa×s	494.42	Calculated Property
η	0.0001900	Pa×s	520.80	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-butoxy-1-methyl-2-oxoethyl ester.

Sources

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

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