Chemical Properties of Diglycolic acid, isobutyl 2-methylphenyl ester

Diglycolic acid, isobutyl 2-methylphenyl ester

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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
Sources

Physical Properties

Property Value Unit Source
Δf -397.08 kJ/mol Joback Calculated Property
Δfgas -754.97 kJ/mol Joback Calculated Property
Δfus 31.50 kJ/mol Joback Calculated Property
Δvap 72.26 kJ/mol Joback Calculated Property
logPoct/wat 2.12 Crippen Calculated Property
Pc 1959.60 kPa Joback Calculated Property
Tboil 748.82 K Joback Calculated Property
Tc 954.33 K Joback Calculated Property
Tfus 449.30 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 621.47 J/mol×K 748.82 Joback Calculated Property
η 0.00 Pa×s 748.82 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
-CH3 3

Similar Compounds

Diglycolic acid, 2-methylphenyl propyl ester. Diglycolic acid, butyl 2-methylphenyl ester. Diglycolic acid, ethyl 2-methylphenyl ester. Diglycolic acid, 2-methylphenyl pentyl ester. Diglycolic acid, hexyl 2-methylphenyl ester. Diglycolic acid, isohexyl 2-methylphenyl ester. Diglycolic acid, decyl 2-methylphenyl ester. Diglycolic acid, heptyl 2-methylphenyl ester. Diglycolic acid, dodecyl 2-methylphenyl ester. Diglycolic acid, 2-methylphenyl nonyl ester. Diglycolic acid, 2-methylphenyl undecyl ester. Diglycolic acid, di(2-methylphenyl) ester. Diglycolic acid, 2-formylphenyl isobutyl ester. Diglycolic acid, 2,5-dimethylphenyl propyl ester. Diglycolic acid, 2-formylphenyl propyl ester.

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