Chemical Properties of Diglycolic acid, 2,5-dimethylphenyl heptyl ester

InChI

InChI=1S/C19H28O5/c1-4-5-6-7-8-11-23-18(20)13-22-14-19(21)24-17-12-15(2)9-10-16(17)3/h9-10,12H,4-8,11,13-14H2,1-3H3

InChI Key

XVOJIYDOALSDJI-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCCCCCCOC(=O)COCC(=O)Oc1cc(C)ccc1C

Molecular Weight¹

336.43

• 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).
• 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 Pressure, 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	[404.47; 909.67]	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			5.66280e+01
Coefficient B			1.43816e+00
Coefficient C			-6.06720e-04
Coefficient D			2.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	404.47	J/mol×K	273.00	Calculated Property
Cp,gas	490.44	J/mol×K	353.78	Calculated Property
Cp,gas	568.79	J/mol×K	434.56	Calculated Property
Cp,gas	639.59	J/mol×K	515.33	Calculated Property
Cp,gas	702.91	J/mol×K	596.11	Calculated Property
Cp,gas	758.82	J/mol×K	676.89	Calculated Property
Cp,gas	807.38	J/mol×K	757.67	Calculated Property
Cp,gas	848.66	J/mol×K	838.44	Calculated Property
Cp,gas	882.73	J/mol×K	919.22	Calculated Property
Cp,gas	909.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005655; 0.0000640]	Pa×s	[462.24; 704.16]	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			-1.38206e+01
Coefficient B			2.93191e+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.			462.24
Temperature range, max.			704.16
η	0.0005655	Pa×s	462.24	Calculated Property
η	0.0003991	Pa×s	489.12	Calculated Property
η	0.0002920	Pa×s	516.00	Calculated Property
η	0.0002204	Pa×s	542.88	Calculated Property
η	0.0001708	Pa×s	569.76	Calculated Property
η	0.0001355	Pa×s	596.64	Calculated Property
η	0.0001096	Pa×s	623.52	Calculated Property
η	0.0000903	Pa×s	650.40	Calculated Property
η	0.0000755	Pa×s	677.28	Calculated Property
η	0.0000640	Pa×s	704.16	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl heptyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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