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

InChI

InChI=1S/C22H34O7/c1-4-5-6-7-8-9-10-11-15-28-20(23)16-27-17-21(24)29-22-18(25-2)13-12-14-19(22)26-3/h12-14H,4-11,15-17H2,1-3H3

InChI Key

AYGCNGDIAPBPTM-UHFFFAOYSA-N

Formula

C22H34O7

SMILES

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

Molecular Weight¹

410.51

• 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	[498.92; 1101.44]	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			1.04901e+02
Coefficient B			1.59676e+00
Coefficient C			-5.47920e-04
Coefficient D			-5.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	498.92	J/mol×K	273.00	Calculated Property
Cp,gas	598.91	J/mol×K	353.78	Calculated Property
Cp,gas	691.02	J/mol×K	434.56	Calculated Property
Cp,gas	775.10	J/mol×K	515.33	Calculated Property
Cp,gas	850.97	J/mol×K	596.11	Calculated Property
Cp,gas	918.46	J/mol×K	676.89	Calculated Property
Cp,gas	977.43	J/mol×K	757.67	Calculated Property
Cp,gas	1027.69	J/mol×K	838.44	Calculated Property
Cp,gas	1069.08	J/mol×K	919.22	Calculated Property
Cp,gas	1101.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001856; 0.0000244]	Pa×s	[540.51; 791.59]	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			-1.49906e+01
Coefficient B			3.45857e+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.			540.51
Temperature range, max.			791.59
η	0.0001856	Pa×s	540.51	Calculated Property
η	0.0001356	Pa×s	568.41	Calculated Property
η	0.0001020	Pa×s	596.30	Calculated Property
η	0.0000787	Pa×s	624.20	Calculated Property
η	0.0000621	Pa×s	652.10	Calculated Property
η	0.0000500	Pa×s	680.00	Calculated Property
η	0.0000409	Pa×s	707.89	Calculated Property
η	0.0000340	Pa×s	735.79	Calculated Property
η	0.0000286	Pa×s	763.69	Calculated Property
η	0.0000244	Pa×s	791.59	Calculated Property

Similar Compounds

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

Sources

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

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