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

Isophthalic acid, isohexyl pent-4-enyl ester

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

Physical Properties

Property Value Unit Source
Δf -170.56 kJ/mol Joback Calculated Property
Δfgas -579.88 kJ/mol Joback Calculated Property
Δfus 39.39 kJ/mol Joback Calculated Property
Δvap 78.08 kJ/mol Joback Calculated Property
logPoct/wat 4.40 Crippen Calculated Property
Pc 1497.67 kPa Joback Calculated Property
Tboil 814.60 K Joback Calculated Property
Tc 1018.14 K Joback Calculated Property
Tfus 470.39 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 792.85 J/mol×K 814.6 Joback Calculated Property
η 0.00 Pa×s 814.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>CH- 1
-CH3 2
=CH- (ring) 4
=CH2 1
=C< (ring) 2
-CH2- 6
=CH- 1
>C=O (nonring) 2

Similar Compounds

Isophthalic acid, hexyl pent-4-enyl ester. Isophthalic acid, isohexyl 3-methylbutyl ester. Isophthalic acid, heptyl pent-4-enyl ester. Isophthalic acid, octyl pent-4-enyl ester. Isophthalic acid, dodecyl pent-4-enyl ester. Isophthalic acid, nonyl pent-4-enyl ester. Isophthalic acid, hexadecyl pent-4-enyl ester. Isophthalic acid, pent-4-enyl undecyl ester. Isophthalic acid, pent-4-enyl tridecyl ester. Isophthalic acid, pent-4-enyl tetradecyl ester. Isophthalic acid, pentadecyl pent-4-enyl ester. Isophthalic acid, decyl pent-4-enyl ester. 1,3-Benzenedicarboxylic acid, dipentyl ester. Isophthalic acid, di(pent-4-enyl) ester. Isophthalic acid, pent-4-enyl butyl ester.

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