Chemical Properties of Diglycolic acid, 2-formylphenyl isobutyl ester

InChI

InChI=1S/C15H18O6/c1-11(2)8-20-14(17)9-19-10-15(18)21-13-6-4-3-5-12(13)7-16/h3-7,11H,8-10H2,1-2H3

InChI Key

XFRVGBCOERRDTE-UHFFFAOYSA-N

Formula

C15H18O6

SMILES

CC(C)COC(=O)COCC(=O)Oc1ccccc1C=O

Molecular Weight¹

294.30

• 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).
• 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, Enthalpy of vaporization 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	[321.66; 697.66]	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			5.56830e+01
Coefficient B			1.09804e+00
Coefficient C			-4.52360e-04
Coefficient D			-3.70000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	321.66	J/mol×K	273.00	Calculated Property
Cp,gas	387.36	J/mol×K	353.78	Calculated Property
Cp,gas	447.12	J/mol×K	434.56	Calculated Property
Cp,gas	500.90	J/mol×K	515.33	Calculated Property
Cp,gas	548.71	J/mol×K	596.11	Calculated Property
Cp,gas	590.52	J/mol×K	676.89	Calculated Property
Cp,gas	626.34	J/mol×K	757.67	Calculated Property
Cp,gas	656.14	J/mol×K	838.44	Calculated Property
Cp,gas	679.92	J/mol×K	919.22	Calculated Property
Cp,gas	697.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011051; 0.0001025]	Pa×s	[431.64; 676.26]	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			-1.33804e+01
Coefficient B			2.83698e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			431.64
Temperature range, max.			676.26
η	0.0011051	Pa×s	431.64	Calculated Property
η	0.0007487	Pa×s	458.82	Calculated Property
η	0.0005298	Pa×s	486.00	Calculated Property
η	0.0003889	Pa×s	513.18	Calculated Property
η	0.0002945	Pa×s	540.36	Calculated Property
η	0.0002290	Pa×s	567.54	Calculated Property
η	0.0001823	Pa×s	594.72	Calculated Property
η	0.0001480	Pa×s	621.90	Calculated Property
η	0.0001222	Pa×s	649.08	Calculated Property
η	0.0001025	Pa×s	676.26	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-formylphenyl isobutyl 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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