Chemical Properties of Diglycolic acid, isobutyl 2-methylphenyl ester

InChI

InChI=1S/C15H20O5/c1-11(2)8-19-14(16)9-18-10-15(17)20-13-7-5-4-6-12(13)3/h4-7,11H,8-10H2,1-3H3

InChI Key

PURCQNJFMDBSHL-UHFFFAOYSA-N

Formula

C15H20O5

SMILES

Cc1ccccc1OC(=O)COCC(=O)OCC(C)C

Molecular Weight¹

280.32

• 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).
• 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°	31.50	kJ/mol	Joback Calculated Property
IE	8.41	eV	Relay (1.0) Calculated Property
log10WS	-2.78		Relay (1.0) Calculated Property
logPoct/wat	2.116		Crippen Calculated Property
McVol	219.200	ml/mol	McGowan Calculated Property
Inp	[2552.00; 2552.00]
Inp	2552.00		NIST
Inp	2552.00		NIST
Tboil	609.79	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 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	[621.47; 694.42]	J/mol×K	[748.82; 954.33]
Cp,gas	621.47	J/mol×K	748.82	Joback Calculated Property
Cp,gas	636.13	J/mol×K	783.07	Joback Calculated Property
Cp,gas	649.79	J/mol×K	817.32	Joback Calculated Property
Cp,gas	662.46	J/mol×K	851.57	Joback Calculated Property
Cp,gas	674.12	J/mol×K	885.82	Joback Calculated Property
Cp,gas	684.78	J/mol×K	920.08	Joback Calculated Property
Cp,gas	694.42	J/mol×K	954.33	Joback Calculated Property
η	[0.0000748; 0.0007579]	Pa×s	[449.30; 748.82]
η	0.0007579	Pa×s	449.30	Joback Calculated Property
η	0.0004248	Pa×s	499.22	Joback Calculated Property
η	0.0002645	Pa×s	549.14	Joback Calculated Property
η	0.0001782	Pa×s	599.06	Joback Calculated Property
η	0.0001276	Pa×s	648.98	Joback Calculated Property
η	0.0000958	Pa×s	698.90	Joback Calculated Property
η	0.0000748	Pa×s	748.82	Joback Calculated Property

Similar Compounds

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