Chemical Properties of Diglycolic acid, 2-acetylphenyl pentyl ester

Diglycolic acid, 2-acetylphenyl pentyl ester

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InChI
InChI=1S/C17H22O6/c1-3-4-7-10-22-16(19)11-21-12-17(20)23-15-9-6-5-8-14(15)13(2)18/h5-6,8-9H,3-4,7,10-12H2,1-2H3
InChI Key
STUXRKCJAODKBB-UHFFFAOYSA-N
Formula
C17H22O6
SMILES
CCCCCOC(=O)COCC(=O)Oc1ccccc1C(C)=O
Molecular Weight1
322.35
Sources

Physical Properties

Property Value Unit Source
Δf -506.72 kJ/mol Joback Calculated Property
Δfgas -903.55 kJ/mol Joback Calculated Property
Δfus 41.80 kJ/mol Joback Calculated Property
Δvap 83.84 kJ/mol Joback Calculated Property
logPoct/wat 2.54 Crippen Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Tboil 848.89 K Joback Calculated Property
Tc 1056.41 K Joback Calculated Property
Tfus 536.77 K Joback Calculated Property
Vc 0.95 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 747.93 J/mol×K 848.89 Joback Calculated Property
η 0.00 Pa×s 848.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
-CH3 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 6
>C=O (nonring) 3

Similar Compounds

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

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