Chemical Properties of Diglycolic acid, 2-acetylphenyl butyl ester

Diglycolic acid, 2-acetylphenyl butyl ester

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InChI
InChI=1S/C16H20O6/c1-3-4-9-21-15(18)10-20-11-16(19)22-14-8-6-5-7-13(14)12(2)17/h5-8H,3-4,9-11H2,1-2H3
InChI Key
CTNVLYZEVOPPNW-UHFFFAOYSA-N
Formula
C16H20O6
SMILES
CCCCOC(=O)COCC(=O)Oc1ccccc1C(C)=O
Molecular Weight1
308.33
Sources

Physical Properties

Property Value Unit Source
Δf -515.14 kJ/mol Joback Calculated Property
Δfgas -882.91 kJ/mol Joback Calculated Property
Δfus 39.21 kJ/mol Joback Calculated Property
Δvap 81.62 kJ/mol Joback Calculated Property
logPoct/wat 2.15 Crippen Calculated Property
Pc 1890.36 kPa Joback Calculated Property
Tboil 826.01 K Joback Calculated Property
Tc 1034.00 K Joback Calculated Property
Tfus 525.50 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 691.41 J/mol×K 826.01 Joback Calculated Property
η 0.00 Pa×s 826.01 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
-CH3 2

Similar Compounds

Diglycolic acid, 2-acetylphenyl pentyl ester. Diglycolic acid, 2-acetylphenyl propyl ester. Diglycolic acid, 2-acetylphenyl hexyl ester. Diglycolic acid, 2-acetylphenyl isohexyl ester. Diglycolic acid, 2-acetylphenyl decyl ester. Diglycolic acid, 2-acetylphenyl undecyl ester. Diglycolic acid, 2-acetylphenyl nonyl ester. Diglycolic acid, 2-acetylphenyl heptyl ester. Diglycolic acid, 2-acetylphenyl octyl ester. Diglycolic acid, 2-acetylphenyl isobutyl ester. Diglycolic acid, 2-acetylphenyl ethyl ester. Diglycolic acid, di(2-acetylphenyl) ester. Diglycolic acid, butyl 2-formylphenyl ester. Diglycolic acid, 2-formylphenyl pentyl ester. Diglycolic acid, 4-chloro-2-acetylphenyl ethyl ester.

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