Chemical Properties of Diethylmalonic acid, hexyl 2-methoxyethyl ester

InChI

InChI=1S/C16H30O5/c1-5-8-9-10-11-20-14(17)16(6-2,7-3)15(18)21-13-12-19-4/h5-13H2,1-4H3

InChI Key

VDKYJONTNAAFHI-UHFFFAOYSA-N

Formula

C16H30O5

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)OCCOC

Molecular Weight¹

302.41

• 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	[391.52; 880.97]	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			4.01890e+01
Coefficient B			1.47688e+00
Coefficient C			-7.18200e-04
Coefficient D			8.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.52	J/mol×K	273.00	Calculated Property
Cp,gas	476.42	J/mol×K	353.78	Calculated Property
Cp,gas	553.09	J/mol×K	434.56	Calculated Property
Cp,gas	621.78	J/mol×K	515.33	Calculated Property
Cp,gas	682.75	J/mol×K	596.11	Calculated Property
Cp,gas	736.27	J/mol×K	676.89	Calculated Property
Cp,gas	782.59	J/mol×K	757.67	Calculated Property
Cp,gas	821.98	J/mol×K	838.44	Calculated Property
Cp,gas	854.68	J/mol×K	919.22	Calculated Property
Cp,gas	880.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017144; 0.0000864]	Pa×s	[379.39; 615.01]	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			-1.41682e+01
Coefficient B			2.95907e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			379.39
Temperature range, max.			615.01
η	0.0017144	Pa×s	379.39	Calculated Property
η	0.0010363	Pa×s	405.57	Calculated Property
η	0.0006658	Pa×s	431.75	Calculated Property
η	0.0004500	Pa×s	457.93	Calculated Property
η	0.0003173	Pa×s	484.11	Calculated Property
η	0.0002319	Pa×s	510.29	Calculated Property
η	0.0001747	Pa×s	536.47	Calculated Property
η	0.0001352	Pa×s	562.65	Calculated Property
η	0.0001070	Pa×s	588.83	Calculated Property
η	0.0000864	Pa×s	615.01	Calculated Property

Similar Compounds

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

Sources

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

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