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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[627.91; 690.95]	J/mol×K	[761.54; 966.08]
Cp,gas	627.91	J/mol×K	761.54	Joback Calculated Property
Cp,gas	641.10	J/mol×K	795.63	Joback Calculated Property
Cp,gas	653.21	J/mol×K	829.72	Joback Calculated Property
Cp,gas	664.26	J/mol×K	863.81	Joback Calculated Property
Cp,gas	674.23	J/mol×K	897.90	Joback Calculated Property
Cp,gas	683.13	J/mol×K	931.99	Joback Calculated Property
Cp,gas	690.95	J/mol×K	966.08	Joback Calculated Property
η	[0.0000641; 0.0011051]	Pa×s	[431.64; 761.54]
η	0.0011051	Pa×s	431.64	Joback Calculated Property
η	0.0005259	Pa×s	486.62	Joback Calculated Property
η	0.0002910	Pa×s	541.61	Joback Calculated Property
η	0.0001795	Pa×s	596.59	Joback Calculated Property
η	0.0001202	Pa×s	651.57	Joback Calculated Property
η	0.0000857	Pa×s	706.56	Joback Calculated Property
η	0.0000641	Pa×s	761.54	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.