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

InChI

InChI=1S/C20H30O7/c1-4-5-6-7-8-9-13-26-18(21)14-25-15-19(22)27-20-16(23-2)11-10-12-17(20)24-3/h10-12H,4-9,13-15H2,1-3H3

InChI Key

RTOIXSDLQLPZRH-UHFFFAOYSA-N

Formula

C20H30O7

SMILES

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

Molecular Weight¹

382.45

• 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	[456.49; 998.26]	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			1.06719e+02
Coefficient B			1.40676e+00
Coefficient C			-4.39120e-04
Coefficient D			-7.61000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	456.49	J/mol×K	273.00	Calculated Property
Cp,gas	546.07	J/mol×K	353.78	Calculated Property
Cp,gas	628.87	J/mol×K	434.56	Calculated Property
Cp,gas	704.64	J/mol×K	515.33	Calculated Property
Cp,gas	773.14	J/mol×K	596.11	Calculated Property
Cp,gas	834.14	J/mol×K	676.89	Calculated Property
Cp,gas	887.39	J/mol×K	757.67	Calculated Property
Cp,gas	932.66	J/mol×K	838.44	Calculated Property
Cp,gas	969.69	J/mol×K	919.22	Calculated Property
Cp,gas	998.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002364; 0.0000326]	Pa×s	[517.97; 754.95]	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			-1.46634e+01
Coefficient B			3.27025e+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.			517.97
Temperature range, max.			754.95
η	0.0002364	Pa×s	517.97	Calculated Property
η	0.0001742	Pa×s	544.30	Calculated Property
η	0.0001320	Pa×s	570.63	Calculated Property
η	0.0001025	Pa×s	596.96	Calculated Property
η	0.0000814	Pa×s	623.29	Calculated Property
η	0.0000658	Pa×s	649.62	Calculated Property
η	0.0000541	Pa×s	675.95	Calculated Property
η	0.0000451	Pa×s	702.29	Calculated Property
η	0.0000381	Pa×s	728.62	Calculated Property
η	0.0000326	Pa×s	754.95	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic 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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