Chemical Properties of Diethylmalonic acid, 2,6-dimethoxyphenyl ethyl ester

InChI

InChI=1S/C17H24O6/c1-6-17(7-2,15(18)22-8-3)16(19)23-14-12(20-4)10-9-11-13(14)21-5/h9-11H,6-8H2,1-5H3

InChI Key

ISFGXUHZZGGZKG-UHFFFAOYSA-N

Formula

C17H24O6

SMILES

CCOC(=O)C(CC)(CC)C(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

324.37

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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

Property	Value	Unit	Source
ΔfusH°	36.75	kJ/mol	Joback Calculated Property
log10WS	-3.06		Relay (1.0) Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	253.250	ml/mol	McGowan Calculated Property
Inp	[2143.00; 2143.00]
Inp	2143.00		NIST
Inp	2143.00		NIST
Tboil	613.51	K	Relay (1.0) Calculated Property

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 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	[375.98; 826.45]	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			5.94730e+01
Coefficient B			1.31080e+00
Coefficient C			-5.58720e-04
Coefficient D			1.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	375.98	J/mol×K	273.00	Calculated Property
Cp,gas	453.94	J/mol×K	353.78	Calculated Property
Cp,gas	524.80	J/mol×K	434.56	Calculated Property
Cp,gas	588.63	J/mol×K	515.33	Calculated Property
Cp,gas	645.47	J/mol×K	596.11	Calculated Property
Cp,gas	695.37	J/mol×K	676.89	Calculated Property
Cp,gas	738.37	J/mol×K	757.67	Calculated Property
Cp,gas	774.51	J/mol×K	838.44	Calculated Property
Cp,gas	803.86	J/mol×K	919.22	Calculated Property
Cp,gas	826.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004575; 0.0000511]	Pa×s	[464.35; 690.60]	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			-1.43791e+01
Coefficient B			3.10622e+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.			464.35
Temperature range, max.			690.60
η	0.0004575	Pa×s	464.35	Calculated Property
η	0.0003245	Pa×s	489.49	Calculated Property
η	0.0002380	Pa×s	514.63	Calculated Property
η	0.0001797	Pa×s	539.77	Calculated Property
η	0.0001391	Pa×s	564.90	Calculated Property
η	0.0001100	Pa×s	590.04	Calculated Property
η	0.0000887	Pa×s	615.18	Calculated Property
η	0.0000728	Pa×s	640.32	Calculated Property
η	0.0000606	Pa×s	665.46	Calculated Property
η	0.0000511	Pa×s	690.60	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl ethyl 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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