Chemical Properties of Diglycolic acid, 2,6-dimethoxyphenyl nonyl ester

InChI

InChI=1S/C21H32O7/c1-4-5-6-7-8-9-10-14-27-19(22)15-26-16-20(23)28-21-17(24-2)12-11-13-18(21)25-3/h11-13H,4-10,14-16H2,1-3H3

InChI Key

YNNSILGZZREMHY-UHFFFAOYSA-N

Formula

C21H32O7

SMILES

CCCCCCCCCOC(=O)COCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

396.47

• 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).
• Δ_vapH° : Enthalpy of vaporization 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, 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	[477.70; 1049.85]	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			1.05810e+02
Coefficient B			1.50176e+00
Coefficient C			-4.93520e-04
Coefficient D			-6.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	477.70	J/mol×K	273.00	Calculated Property
Cp,gas	572.49	J/mol×K	353.78	Calculated Property
Cp,gas	659.94	J/mol×K	434.56	Calculated Property
Cp,gas	739.87	J/mol×K	515.33	Calculated Property
Cp,gas	812.05	J/mol×K	596.11	Calculated Property
Cp,gas	876.30	J/mol×K	676.89	Calculated Property
Cp,gas	932.41	J/mol×K	757.67	Calculated Property
Cp,gas	980.17	J/mol×K	838.44	Calculated Property
Cp,gas	1019.39	J/mol×K	919.22	Calculated Property
Cp,gas	1049.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002098; 0.0000283]	Pa×s	[529.24; 772.96]	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			-1.48264e+01
Coefficient B			3.36441e+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.			529.24
Temperature range, max.			772.96
η	0.0002098	Pa×s	529.24	Calculated Property
η	0.0001540	Pa×s	556.32	Calculated Property
η	0.0001163	Pa×s	583.40	Calculated Property
η	0.0000900	Pa×s	610.48	Calculated Property
η	0.0000712	Pa×s	637.56	Calculated Property
η	0.0000575	Pa×s	664.64	Calculated Property
η	0.0000471	Pa×s	691.72	Calculated Property
η	0.0000392	Pa×s	718.80	Calculated Property
η	0.0000331	Pa×s	745.88	Calculated Property
η	0.0000283	Pa×s	772.96	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl nonyl ester.

Sources

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

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