Chemical Properties of Isophthalic acid, pentyl phenylethyl ester

Isophthalic acid, pentyl phenylethyl ester

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InChI
InChI=1S/C21H24O4/c1-2-3-7-14-24-20(22)18-11-8-12-19(16-18)21(23)25-15-13-17-9-5-4-6-10-17/h4-6,8-12,16H,2-3,7,13-15H2,1H3
InChI Key
MDOKBVMYBAFZDO-UHFFFAOYSA-N
Formula
C21H24O4
SMILES
CCCCCOC(=O)c1cccc(C(=O)OCCc2ccccc2)c1
Molecular Weight1
340.41
Sources

Physical Properties

Property Value Unit Source
Δf -126.71 kJ/mol Joback Calculated Property
Δfgas -504.78 kJ/mol Joback Calculated Property
Δfus 43.41 kJ/mol Joback Calculated Property
Δvap 85.87 kJ/mol Joback Calculated Property
logPoct/wat 4.43 Crippen Calculated Property
Pc 1606.42 kPa Joback Calculated Property
Tboil 890.80 K Joback Calculated Property
Tc 1113.16 K Joback Calculated Property
Tfus 536.11 K Joback Calculated Property
Vc 1.04 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 839.31 J/mol×K 890.8 Joback Calculated Property
η 0.00 Pa×s 890.8 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 9
=C< (ring) 3
-CH2- 6
-CH3 1

Similar Compounds

Isophthalic acid, hexyl phenylethyl ester. Isophthalic acid, isohexyl phenylethyl ester. Isophthalic acid, heptyl phenylethyl ester. Isophthalic acid, nonyl phenylethyl ester. Isophthalic acid, octyl phenylethyl ester. Isophthalic acid, phenylethyl undecyl ester. Isophthalic acid, dodecyl phenylethyl ester. Isophthalic acid, butyl phenylethyl ester. Isophthalic acid, phenylethyl propyl ester. Isophthalic acid, isobutyl phenylethyl ester. Isophthalic acid, ethyl phenylethyl ester. 1,3-Benzenedicarboxylic acid, dipentyl ester. Isophthalic acid, hexyl pentyl ester. Isophthalic acid, dihexyl ester. Isophthalic acid, ethyl hexyl ester.

Find more compounds similar to Isophthalic acid, pentyl phenylethyl ester.

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