Chemical Properties of Diglycolic acid, isobutyl 4-methoxyphenyl ester

InChI

InChI=1S/C15H20O6/c1-11(2)8-20-14(16)9-19-10-15(17)21-13-6-4-12(18-3)5-7-13/h4-7,11H,8-10H2,1-3H3

InChI Key

YPRNQBQCGYPSII-UHFFFAOYSA-N

Formula

C15H20O6

SMILES

COc1ccc(OC(=O)COCC(=O)OCC(C)C)cc1

Molecular Weight¹

296.32

• 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).
• IE : Ionization energy (eV).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.85	kJ/mol	Joback Calculated Property
IE	8.09	eV	Relay (1.0) Calculated Property
logPoct/wat	1.816		Crippen Calculated Property
McVol	225.070	ml/mol	McGowan Calculated Property
Pc	1798.51	kPa	Joback Calculated Property
Inp	[2673.00; 2673.00]
Inp	2673.00		NIST
Inp	2673.00		NIST
Tboil	630.28	K	Relay (1.0) Calculated Property
Tc	817.35	K	Relay (1.0) Calculated Property
Tfus	317.37	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[332.15; 725.38]	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			6.97830e+01
Coefficient B			1.06036e+00
Coefficient C			-3.48360e-04
Coefficient D			-5.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.15	J/mol×K	273.00	Calculated Property
Cp,gas	398.82	J/mol×K	353.78	Calculated Property
Cp,gas	460.16	J/mol×K	434.56	Calculated Property
Cp,gas	515.99	J/mol×K	515.33	Calculated Property
Cp,gas	566.14	J/mol×K	596.11	Calculated Property
Cp,gas	610.43	J/mol×K	676.89	Calculated Property
Cp,gas	648.67	J/mol×K	757.67	Calculated Property
Cp,gas	680.70	J/mol×K	838.44	Calculated Property
Cp,gas	706.33	J/mol×K	919.22	Calculated Property
Cp,gas	725.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008685; 0.0000718]	Pa×s	[411.87; 654.96]	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			-1.37656e+01
Coefficient B			2.76644e+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.			411.87
Temperature range, max.			654.96
η	0.0008685	Pa×s	411.87	Calculated Property
η	0.0005744	Pa×s	438.88	Calculated Property
η	0.0003986	Pa×s	465.89	Calculated Property
η	0.0002879	Pa×s	492.90	Calculated Property
η	0.0002151	Pa×s	519.91	Calculated Property
η	0.0001654	Pa×s	546.92	Calculated Property
η	0.0001303	Pa×s	573.93	Calculated Property
η	0.0001049	Pa×s	600.94	Calculated Property
η	0.0000861	Pa×s	627.95	Calculated Property
η	0.0000718	Pa×s	654.96	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isobutyl 4-methoxyphenyl ester.

Sources

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

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