Chemical Properties of Isophthalic acid, hexyl pent-4-enyl ester

Isophthalic acid, hexyl pent-4-enyl ester

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InChI
InChI=1S/C19H26O4/c1-3-5-7-9-14-23-19(21)17-12-10-11-16(15-17)18(20)22-13-8-6-4-2/h4,10-12,15H,2-3,5-9,13-14H2,1H3
InChI Key
OLEAGAUWVXSJDI-UHFFFAOYSA-N
Formula
C19H26O4
SMILES
C=CCCCOC(=O)c1cccc(C(=O)OCCCCCC)c1
Molecular Weight1
318.41
Sources

Physical Properties

Property Value Unit Source
Δf -168.12 kJ/mol Joback Calculated Property
Δfgas -574.60 kJ/mol Joback Calculated Property
Δfus 42.91 kJ/mol Joback Calculated Property
Δvap 78.47 kJ/mol Joback Calculated Property
logPoct/wat 4.55 Crippen Calculated Property
Pc 1488.44 kPa Joback Calculated Property
Tboil 815.04 K Joback Calculated Property
Tc 1016.36 K Joback Calculated Property
Tfus 485.39 K Joback Calculated Property
Vc 1.02 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 792.31 J/mol×K 815.04 Joback Calculated Property
η 0.00 Pa×s 815.04 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 1
=CH- (ring) 4
=CH2 1
=C< (ring) 2
-CH2- 8
=CH- 1
>C=O (nonring) 2

Similar Compounds

Isophthalic acid, heptyl pent-4-enyl ester. Isophthalic acid, pentadecyl pent-4-enyl ester. Isophthalic acid, hexadecyl pent-4-enyl ester. Isophthalic acid, pent-4-enyl tridecyl ester. Isophthalic acid, nonyl pent-4-enyl ester. Isophthalic acid, pent-4-enyl tetradecyl ester. Isophthalic acid, dodecyl pent-4-enyl ester. Isophthalic acid, octyl pent-4-enyl ester. Isophthalic acid, pent-4-enyl undecyl ester. Isophthalic acid, decyl pent-4-enyl ester. Isophthalic acid, butyl hexyl ester. Isophthalic acid, ethyl hexyl ester. Isophthalic acid, dihexyl ester. Isophthalic acid, hexyl pentyl ester. Isophthalic acid, isohexyl pent-4-enyl ester.

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