Chemical Properties of Diglycolic acid, decyl 2-methylphenyl ester

Diglycolic acid, decyl 2-methylphenyl ester

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InChI
InChI=1S/C21H32O5/c1-3-4-5-6-7-8-9-12-15-25-20(22)16-24-17-21(23)26-19-14-11-10-13-18(19)2/h10-11,13-14H,3-9,12,15-17H2,1-2H3
InChI Key
YIOCSGZXUKSEQF-UHFFFAOYSA-N
Formula
C21H32O5
SMILES
CCCCCCCCCCOC(=O)COCC(=O)Oc1ccccc1C
Molecular Weight1
364.48
Sources

Physical Properties

Property Value Unit Source
Δf -344.12 kJ/mol Joback Calculated Property
Δfgas -873.53 kJ/mol Joback Calculated Property
Δfus 50.56 kJ/mol Joback Calculated Property
Δvap 86.00 kJ/mol Joback Calculated Property
logPoct/wat 4.60 Crippen Calculated Property
Pc 1237.22 kPa Joback Calculated Property
Tboil 886.54 K Joback Calculated Property
Tc 1089.96 K Joback Calculated Property
Tfus 531.92 K Joback Calculated Property
Vc 1.17 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 966.74 J/mol×K 886.54 Joback Calculated Property
η 0.00 Pa×s 886.54 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
>C=O (nonring) 2

Similar Compounds

Diglycolic acid, 2-methylphenyl undecyl ester. Diglycolic acid, heptyl 2-methylphenyl ester. Diglycolic acid, 2-methylphenyl nonyl ester. Diglycolic acid, dodecyl 2-methylphenyl ester. Diglycolic acid, hexyl 2-methylphenyl ester. Diglycolic acid, 2-methylphenyl pentyl ester. Diglycolic acid, butyl 2-methylphenyl ester. Diglycolic acid, isohexyl 2-methylphenyl ester. Diglycolic acid, 2-methylphenyl propyl ester. Diglycolic acid, isobutyl 2-methylphenyl ester. Diglycolic acid, 2,5-dimethylphenyl heptyl ester. Diglycolic acid, 2,5-dimethylphenyl dodecyl ester. Diglycolic acid, 2,5-dimethylphenyl nonyl ester. Diglycolic acid, 2,5-dimethylphenyl octyl ester. Diglycolic acid, decyl 2,5-dimethylphenyl ester.

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