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

InChI

InChI=1S/C23H36O6/c1-6-9-10-11-12-13-17-28-21(24)23(7-2,8-3)22(25)29-20-18(26-4)15-14-16-19(20)27-5/h14-16H,6-13,17H2,1-5H3

InChI Key

WUOYBYKNCCKQQV-UHFFFAOYSA-N

Formula

C23H36O6

SMILES

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

Molecular Weight¹

408.53

• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[503.27; 1136.00]	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			5.40190e+01
Coefficient B			1.88080e+00
Coefficient C			-8.85120e-04
Coefficient D			8.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	503.27	J/mol×K	273.00	Calculated Property
Cp,gas	612.44	J/mol×K	353.78	Calculated Property
Cp,gas	711.27	J/mol×K	434.56	Calculated Property
Cp,gas	800.01	J/mol×K	515.33	Calculated Property
Cp,gas	878.94	J/mol×K	596.11	Calculated Property
Cp,gas	948.33	J/mol×K	676.89	Calculated Property
Cp,gas	1008.46	J/mol×K	757.67	Calculated Property
Cp,gas	1059.60	J/mol×K	838.44	Calculated Property
Cp,gas	1102.02	J/mol×K	919.22	Calculated Property
Cp,gas	1136.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002158; 0.0000226]	Pa×s	[531.97; 790.28]	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			-1.53424e+01
Coefficient B			3.67118e+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.			531.97
Temperature range, max.			790.28
η	0.0002158	Pa×s	531.97	Calculated Property
η	0.0001516	Pa×s	560.67	Calculated Property
η	0.0001102	Pa×s	589.37	Calculated Property
η	0.0000825	Pa×s	618.07	Calculated Property
η	0.0000634	Pa×s	646.77	Calculated Property
η	0.0000498	Pa×s	675.48	Calculated Property
η	0.0000399	Pa×s	704.18	Calculated Property
η	0.0000325	Pa×s	732.88	Calculated Property
η	0.0000269	Pa×s	761.58	Calculated Property
η	0.0000226	Pa×s	790.28	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2,6-dimethoxyphenyl octyl ester.

Sources

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

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