Chemical Properties of Isophthalic acid, heptyl 3-methylpentyl ester

Isophthalic acid, heptyl 3-methylpentyl ester

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InChI
InChI=1S/C21H32O4/c1-4-6-7-8-9-14-24-20(22)18-11-10-12-19(16-18)21(23)25-15-13-17(3)5-2/h10-12,16-17H,4-9,13-15H2,1-3H3
InChI Key
KSVBXMCTIQZCFP-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCCOC(=O)c1cccc(C(=O)OCCC(C)CC)c1
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -241.56 kJ/mol Joback Calculated Property
Δfgas -746.59 kJ/mol Joback Calculated Property
Δfus 45.85 kJ/mol Joback Calculated Property
Δvap 83.20 kJ/mol Joback Calculated Property
logPoct/wat 5.41 Crippen Calculated Property
Pc 1259.27 kPa Joback Calculated Property
Tboil 863.68 K Joback Calculated Property
Tc 1066.32 K Joback Calculated Property
Tfus 494.69 K Joback Calculated Property
Vc 1.15 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 937.65 J/mol×K 863.68 Joback Calculated Property
η 0.00 Pa×s 863.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
-CH3 3

Similar Compounds

Isophthalic acid, 3-methylpentyl octyl ester. Isophthalic acid, dodecyl 3-methylpentyl ester. Isophthalic acid, 3-methylpentyl tridecyl ester. Isophthalic acid, 3-methylpentyl nonyl ester. Isophthalic acid, decyl 3-methylpentyl ester. Isophthalic acid, 3-methylpentyl tetradecyl ester. Isophthalic acid, 3-methylpentyl pentadecyl ester. Isophthalic acid, 3-methylpentyl undecyl ester. Isophthalic acid, hexadecyl 3-methylpentyl ester. Isophthalic acid, hexyl 3-methylpentyl ester. Isophthalic acid, heptyl 3-methylbutyl ester. Isophthalic acid, dodecyl 3-methylbutyl ester. Isophthalic acid, 3-methylbutyl nonyl ester. Isophthalic acid, 3-methylbutyl pentadecyl ester. Isophthalic acid, 3-methylbutyl tetradecyl ester.

Find more compounds similar to Isophthalic acid, heptyl 3-methylpentyl ester.

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