Chemical Properties of Isophthalic acid, heptyl trans-hex-3-enyl ester

Isophthalic acid, heptyl trans-hex-3-enyl ester

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InChI
InChI=1S/C21H30O4/c1-3-5-7-9-11-16-25-21(23)19-14-12-13-18(17-19)20(22)24-15-10-8-6-4-2/h6,8,12-14,17H,3-5,7,9-11,15-16H2,1-2H3/b8-6+
InChI Key
JSUXCRKEYWSBRB-SOFGYWHQSA-N
Formula
C21H30O4
SMILES
CCC=CCCOC(=O)c1cccc(C(=O)OCCCCCCC)c1
Molecular Weight1
346.46
Sources

Physical Properties

Property Value Unit Source
Δf -158.90 kJ/mol Joback Calculated Property
Δfgas -624.09 kJ/mol Joback Calculated Property
Δfus 49.57 kJ/mol Joback Calculated Property
Δvap 83.55 kJ/mol Joback Calculated Property
logPoct/wat 5.33 Crippen Calculated Property
Pc 1299.53 kPa Joback Calculated Property
Tboil 868.28 K Joback Calculated Property
Tc 1073.05 K Joback Calculated Property
Tfus 504.61 K Joback Calculated Property
Vc 1.13 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 910.28 J/mol×K 868.28 Joback Calculated Property
η 0.00 Pa×s 868.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
=CH- 2
-CH3 2

Similar Compounds

Isophthalic acid, cis-hex-3-enyl heptyl ester. Isophthalic acid, dodecyl trans-hex-3-enyl ester. Isophthalic acid, cis-hex-3-enyl nonyl ester. Isophthalic acid, cis-hex-3-enyl undecyl ester. Isophthalic acid, cis-hex-3-enyl pentadecyl ester. Isophthalic acid, cis-hex-3-enyl decyl ester. Isophthalic acid, cis-hex-3-enyl tridecyl ester. Isophthalic acid, nonyl trans-hex-3-enyl ester. Isophthalic acid, decyl trans-hex-3-enyl ester. Isophthalic acid, cis-hex-3-enyl octyl ester. Isophthalic acid, trans-hex-3-enyl undecyl ester. Isophthalic acid, octyl trans-hex-3-enyl ester. Isophthalic acid, cis-hex-3-enyl heptadecyl ester. Isophthalic acid, cis-hex-3-enyl dodecyl ester. Isophthalic acid, cis-hex-3-enyl hexadecyl ester.

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