Chemical Properties of Diethylmalonic acid, ethyl 5-methoxy-3-methylpentyl ester

InChI

InChI=1S/C16H30O5/c1-6-16(7-2,14(17)20-8-3)15(18)21-12-10-13(4)9-11-19-5/h13H,6-12H2,1-5H3

InChI Key

XDDCUMCCWBDLAW-UHFFFAOYSA-N

Formula

C16H30O5

SMILES

CCOC(=O)C(CC)(CC)C(=O)OCCC(C)CCOC

Molecular Weight¹

302.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[391.21; 881.51]	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			3.85070e+01
Coefficient B			1.48280e+00
Coefficient C			-7.21400e-04
Coefficient D			8.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.21	J/mol×K	273.00	Calculated Property
Cp,gas	476.41	J/mol×K	353.78	Calculated Property
Cp,gas	553.33	J/mol×K	434.56	Calculated Property
Cp,gas	622.23	J/mol×K	515.33	Calculated Property
Cp,gas	683.36	J/mol×K	596.11	Calculated Property
Cp,gas	736.97	J/mol×K	676.89	Calculated Property
Cp,gas	783.34	J/mol×K	757.67	Calculated Property
Cp,gas	822.71	J/mol×K	838.44	Calculated Property
Cp,gas	855.35	J/mol×K	919.22	Calculated Property
Cp,gas	881.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022932; 0.0000796]	Pa×s	[364.39; 616.20]	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			-1.43022e+01
Coefficient B			2.99689e+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.			364.39
Temperature range, max.			616.20
η	0.0022932	Pa×s	364.39	Calculated Property
η	0.0012757	Pa×s	392.37	Calculated Property
η	0.0007673	Pa×s	420.35	Calculated Property
η	0.0004917	Pa×s	448.33	Calculated Property
η	0.0003320	Pa×s	476.31	Calculated Property
η	0.0002342	Pa×s	504.28	Calculated Property
η	0.0001714	Pa×s	532.26	Calculated Property
η	0.0001294	Pa×s	560.24	Calculated Property
η	0.0001003	Pa×s	588.22	Calculated Property
η	0.0000796	Pa×s	616.20	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, ethyl 5-methoxy-3-methylpentyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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