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

InChI

InChI=1S/C18H26O6/c1-6-12-23-16(19)18(7-2,8-3)17(20)24-15-13(21-4)10-9-11-14(15)22-5/h9-11H,6-8,12H2,1-5H3

InChI Key

CDISSMTXBVARLY-UHFFFAOYSA-N

Formula

C18H26O6

SMILES

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

Molecular Weight¹

338.40

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.34	kJ/mol	Joback Calculated Property
logPoct/wat	3.369		Crippen Calculated Property
McVol	267.340	ml/mol	McGowan Calculated Property
Inp	[2225.00; 2225.00]
Inp	2225.00		NIST
Inp	2225.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[397.20; 878.04]	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			5.85640e+01
Coefficient B			1.40580e+00
Coefficient C			-6.13120e-04
Coefficient D			2.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	397.20	J/mol×K	273.00	Calculated Property
Cp,gas	480.35	J/mol×K	353.78	Calculated Property
Cp,gas	555.88	J/mol×K	434.56	Calculated Property
Cp,gas	623.86	J/mol×K	515.33	Calculated Property
Cp,gas	684.38	J/mol×K	596.11	Calculated Property
Cp,gas	737.53	J/mol×K	676.89	Calculated Property
Cp,gas	783.38	J/mol×K	757.67	Calculated Property
Cp,gas	822.03	J/mol×K	838.44	Calculated Property
Cp,gas	853.55	J/mol×K	919.22	Calculated Property
Cp,gas	878.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004069; 0.0000453]	Pa×s	[475.62; 706.00]	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			-1.45358e+01
Coefficient B			3.20038e+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.			475.62
Temperature range, max.			706.00
η	0.0004069	Pa×s	475.62	Calculated Property
η	0.0002886	Pa×s	501.22	Calculated Property
η	0.0002116	Pa×s	526.82	Calculated Property
η	0.0001597	Pa×s	552.41	Calculated Property
η	0.0001235	Pa×s	578.01	Calculated Property
η	0.0000977	Pa×s	603.61	Calculated Property
η	0.0000787	Pa×s	629.21	Calculated Property
η	0.0000645	Pa×s	654.81	Calculated Property
η	0.0000537	Pa×s	680.40	Calculated Property
η	0.0000453	Pa×s	706.00	Calculated Property

Similar Compounds

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