Chemical Properties of Isophthalic acid, dec-2-yl heptyl ester

Isophthalic acid, dec-2-yl heptyl ester

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InChI
InChI=1S/C25H40O4/c1-4-6-8-10-11-13-16-21(3)29-25(27)23-18-15-17-22(20-23)24(26)28-19-14-12-9-7-5-2/h15,17-18,20-21H,4-14,16,19H2,1-3H3
InChI Key
KQBAAKXZSCGZJE-UHFFFAOYSA-N
Formula
C25H40O4
SMILES
CCCCCCCCC(C)OC(=O)c1cccc(C(=O)OCCCCCCC)c1
Molecular Weight1
404.58
Sources

Physical Properties

Property Value Unit Source
Δf -207.88 kJ/mol Joback Calculated Property
Δfgas -829.15 kJ/mol Joback Calculated Property
Δfus 56.21 kJ/mol Joback Calculated Property
Δvap 92.11 kJ/mol Joback Calculated Property
logPoct/wat 7.110 Crippen Calculated Property
Pc 975.34 kPa Joback Calculated Property
Tboil 955.20 K Joback Calculated Property
Tc 1169.50 K Joback Calculated Property
Tfus 539.77 K Joback Calculated Property
Vc 1.369 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1181.72 J/mol×K 955.2 Joback Calculated Property
η 0.0000241 Pa×s 955.2 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- 13
-CH3 3

Similar Compounds

Isophthalic acid, hept-2-yl octyl ester. Isophthalic acid, hept-2-yl nonyl ester. Isophthalic acid, hept-2-yl pentadecyl ester. Isophthalic acid, hept-2-yl tetradecyl ester. Isophthalic acid, decyl dec-2-yl ester. Isophthalic acid, dec-2-yl octyl ester. Isophthalic acid, decyl hept-2-yl ester. Isophthalic acid, di(dec-2-yl) ester. Isophthalic acid, hexadecyl hex-3-yl ester. Isophthalic acid, dec-2-yl undecyl ester. Isophthalic acid, hept-2-yl undecyl ester. Isophthalic acid, dodecyl hept-2-yl ester. Isophthalic acid, dec-2-yl dodecyl ester. Isophthalic acid, hept-2-yl tridecyl ester. Isophthalic acid, dec-2-yl hexyl ester.

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