Chemical Properties of Glutaric acid, isobutyl 3-methylbenzyl ester

Glutaric acid, isobutyl 3-methylbenzyl ester

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InChI
InChI=1S/C17H24O4/c1-13(2)11-20-16(18)8-5-9-17(19)21-12-15-7-4-6-14(3)10-15/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3
InChI Key
NYGBHXPKLNHSIA-UHFFFAOYSA-N
Formula
C17H24O4
SMILES
Cc1cccc(COC(=O)CCCC(=O)OCC(C)C)c1
Molecular Weight1
292.37
Sources

Physical Properties

Property Value Unit Source
Δf -275.24 kJ/mol Joback Calculated Property
Δfgas -664.03 kJ/mol Joback Calculated Property
Δfus 35.49 kJ/mol Joback Calculated Property
Δvap 74.30 kJ/mol Joback Calculated Property
logPoct/wat 3.41 Crippen Calculated Property
Pc 1687.95 kPa Joback Calculated Property
Tboil 772.16 K Joback Calculated Property
Tc 975.26 K Joback Calculated Property
Tfus 449.61 K Joback Calculated Property
Vc 0.92 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 704.89 J/mol×K 772.16 Joback Calculated Property
η 0.00 Pa×s 772.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 3
=CH- (ring) 4
=C< (ring) 2
-CH2- 5
>C=O (nonring) 2

Similar Compounds

Glutaric acid, 3-methylbenzyl propyl ester. Glutaric acid, ethyl 3-methylbenzyl ester. Glutaric acid, butyl 3-methylbenzyl ester. Glutaric acid, 3-methylbenzyl pentyl ester. Glutaric acid, hexyl 3-methylbenzyl ester. Glutaric acid, heptyl 3-methylbenzyl ester. Glutaric acid, 3-methylbenzyl octyl ester. Glutaric acid, di(3-methylbenzyl) ester. Succinic acid, isobutyl 3-methylbenzyl ester. Glutaric acid, 3-methylbenzyl 2-methylhex-3-yl ester. Glutaric acid, 4-fluorobenzyl isobutyl ester. Succinic acid, 3-methylbenzyl pentyl ester. Succinic acid, 3-methylbenzyl propyl ester. Glutaric acid, 4-chlorobenzyl isobutyl ester. Succinic acid, hexyl 3-methylbenzyl ester.

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