Chemical Properties of Diglycolic acid, 2,6-dimethoxyphenyl isobutyl ester

InChI

InChI=1S/C16H22O7/c1-11(2)8-22-14(17)9-21-10-15(18)23-16-12(19-3)6-5-7-13(16)20-4/h5-7,11H,8-10H2,1-4H3

InChI Key

QFOSOBYGBXTBHA-UHFFFAOYSA-N

Formula

C16H22O7

SMILES

COc1cccc(OC)c1OC(=O)COCC(=O)OCC(C)C

Molecular Weight¹

326.34

• 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).
• 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°	39.24	kJ/mol	Joback Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
logPoct/wat	1.825		Crippen Calculated Property
McVol	245.030	ml/mol	McGowan Calculated Property
Inp	[2801.00; 2801.00]
Inp	2801.00		NIST
Inp	2801.00		NIST
Tboil	638.09	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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.03; 789.15]	J/mol×K	[785.58; 985.04]
Cp,gas	721.03	J/mol×K	785.58	Joback Calculated Property
Cp,gas	735.40	J/mol×K	818.82	Joback Calculated Property
Cp,gas	748.60	J/mol×K	852.07	Joback Calculated Property
Cp,gas	760.60	J/mol×K	885.31	Joback Calculated Property
Cp,gas	771.38	J/mol×K	918.55	Joback Calculated Property
Cp,gas	780.90	J/mol×K	951.79	Joback Calculated Property
Cp,gas	789.15	J/mol×K	985.04	Joback Calculated Property
η	[0.0000296; 0.0004273]	Pa×s	[457.89; 785.58]
η	0.0004273	Pa×s	457.89	Joback Calculated Property
η	0.0002160	Pa×s	512.50	Joback Calculated Property
η	0.0001245	Pa×s	567.12	Joback Calculated Property
η	0.0000791	Pa×s	621.74	Joback Calculated Property
η	0.0000540	Pa×s	676.35	Joback Calculated Property
η	0.0000391	Pa×s	730.96	Joback Calculated Property
η	0.0000296	Pa×s	785.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl 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.
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