Chemical Properties of Diglycolic acid, isobutyl 2-methoxyphenyl ester

InChI

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

InChI Key

ZGASQFPKBVTPGX-UHFFFAOYSA-N

Formula

C15H20O6

SMILES

COc1ccccc1OC(=O)COCC(=O)OCC(C)C

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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.85	kJ/mol	Joback Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	1.816		Crippen Calculated Property
McVol	225.070	ml/mol	McGowan Calculated Property
Inp	[2600.00; 2600.00]
Inp	2600.00		NIST
Inp	2600.00		NIST
Tboil	621.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[638.70; 710.74]	J/mol×K	[735.30; 935.66]
Cp,gas	638.70	J/mol×K	735.30	Joback Calculated Property
Cp,gas	653.41	J/mol×K	768.69	Joback Calculated Property
Cp,gas	667.06	J/mol×K	802.09	Joback Calculated Property
Cp,gas	679.64	J/mol×K	835.48	Joback Calculated Property
Cp,gas	691.11	J/mol×K	868.87	Joback Calculated Property
Cp,gas	701.49	J/mol×K	902.26	Joback Calculated Property
Cp,gas	710.74	J/mol×K	935.66	Joback Calculated Property
η	[0.0000453; 0.0008685]	Pa×s	[411.87; 735.30]
η	0.0008685	Pa×s	411.87	Joback Calculated Property
η	0.0003992	Pa×s	465.77	Joback Calculated Property
η	0.0002156	Pa×s	519.68	Joback Calculated Property
η	0.0001307	Pa×s	573.59	Joback Calculated Property
η	0.0000864	Pa×s	627.49	Joback Calculated Property
η	0.0000609	Pa×s	681.39	Joback Calculated Property
η	0.0000453	Pa×s	735.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isobutyl 2-methoxyphenyl 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.
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