Chemical Properties of Diethylmalonic acid, butyl 2-methoxyethyl ester

InChI

InChI=1S/C14H26O5/c1-5-8-9-18-12(15)14(6-2,7-3)13(16)19-11-10-17-4/h5-11H2,1-4H3

InChI Key

IPNAFPSIXXUZMK-UHFFFAOYSA-N

Formula

C14H26O5

SMILES

CCCCOC(=O)C(CC)(CC)C(=O)OCCOC

Molecular Weight¹

274.36

• 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_np : Non-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	[349.09; 777.79]	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			4.20070e+01
Coefficient B			1.28688e+00
Coefficient C			-6.09400e-04
Coefficient D			5.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.09	J/mol×K	273.00	Calculated Property
Cp,gas	423.59	J/mol×K	353.78	Calculated Property
Cp,gas	490.93	J/mol×K	434.56	Calculated Property
Cp,gas	551.32	J/mol×K	515.33	Calculated Property
Cp,gas	604.93	J/mol×K	596.11	Calculated Property
Cp,gas	651.95	J/mol×K	676.89	Calculated Property
Cp,gas	692.56	J/mol×K	757.67	Calculated Property
Cp,gas	726.95	J/mol×K	838.44	Calculated Property
Cp,gas	755.29	J/mol×K	919.22	Calculated Property
Cp,gas	777.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022359; 0.0001096]	Pa×s	[356.85; 583.46]	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			-1.38676e+01
Coefficient B			2.77075e+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.			356.85
Temperature range, max.			583.46
η	0.0022359	Pa×s	356.85	Calculated Property
η	0.0013403	Pa×s	382.03	Calculated Property
η	0.0008560	Pa×s	407.21	Calculated Property
η	0.0005759	Pa×s	432.39	Calculated Property
η	0.0004048	Pa×s	457.56	Calculated Property
η	0.0002952	Pa×s	482.74	Calculated Property
η	0.0002221	Pa×s	507.92	Calculated Property
η	0.0001716	Pa×s	533.10	Calculated Property
η	0.0001358	Pa×s	558.28	Calculated Property
η	0.0001096	Pa×s	583.46	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, butyl 2-methoxyethyl ester.

Sources

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

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