Chemical Properties of Diglycolic acid, dodecyl 2-methylphenyl ester

InChI

InChI=1S/C23H36O5/c1-3-4-5-6-7-8-9-10-11-14-17-27-22(24)18-26-19-23(25)28-21-16-13-12-15-20(21)2/h12-13,15-16H,3-11,14,17-19H2,1-2H3

InChI Key

VJRQVLZUDVTHHY-UHFFFAOYSA-N

Formula

C23H36O5

SMILES

CCCCCCCCCCCCOC(=O)COCC(=O)Oc1ccccc1C

Molecular Weight¹

392.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Standard Gibbs free energy of formation, Acentric Factor 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	[486.77; 1119.07]	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			3.86930e+01
Coefficient B			1.87764e+00
Coefficient C			-8.91360e-04
Coefficient D			9.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	486.77	J/mol×K	273.00	Calculated Property
Cp,gas	595.57	J/mol×K	353.78	Calculated Property
Cp,gas	694.03	J/mol×K	434.56	Calculated Property
Cp,gas	782.46	J/mol×K	515.33	Calculated Property
Cp,gas	861.16	J/mol×K	596.11	Calculated Property
Cp,gas	930.43	J/mol×K	676.89	Calculated Property
Cp,gas	990.55	J/mol×K	757.67	Calculated Property
Cp,gas	1041.84	J/mol×K	838.44	Calculated Property
Cp,gas	1084.58	J/mol×K	919.22	Calculated Property
Cp,gas	1119.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004238; 0.0000376]	Pa×s	[494.80; 769.28]	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			-1.45564e+01
Coefficient B			3.35981e+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.			494.80
Temperature range, max.			769.28
η	0.0004238	Pa×s	494.80	Calculated Property
η	0.0002858	Pa×s	525.30	Calculated Property
η	0.0002012	Pa×s	555.80	Calculated Property
η	0.0001469	Pa×s	586.29	Calculated Property
η	0.0001107	Pa×s	616.79	Calculated Property
η	0.0000856	Pa×s	647.29	Calculated Property
η	0.0000678	Pa×s	677.79	Calculated Property
η	0.0000547	Pa×s	708.28	Calculated Property
η	0.0000450	Pa×s	738.78	Calculated Property
η	0.0000376	Pa×s	769.28	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, dodecyl 2-methylphenyl ester.

Sources

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

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