Chemical Properties of Terephthalic acid, 3-hexyl pentyl ester

Terephthalic acid, 3-hexyl pentyl ester

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C19H28O4/c1-4-7-8-14-22-18(20)15-10-12-16(13-11-15)19(21)23-17(6-3)9-5-2/h10-13,17H,4-9,14H2,1-3H3
InChI Key
KDOABDSAODQIEX-UHFFFAOYSA-N
Formula
C19H28O4
SMILES
CCCCCOC(=O)c1ccc(C(=O)OC(CC)CCC)cc1
Molecular Weight1
320.42
Sources

Physical Properties

Property Value Unit Source
Δf -258.40 kJ/mol Joback Calculated Property
Δfgas -705.31 kJ/mol Joback Calculated Property
Δfus 40.67 kJ/mol Joback Calculated Property
Δvap 78.75 kJ/mol Joback Calculated Property
logPoct/wat 4.77 Crippen Calculated Property
Pc 1450.14 kPa Joback Calculated Property
Tboil 817.92 K Joback Calculated Property
Tc 1019.49 K Joback Calculated Property
Tfus 472.15 K Joback Calculated Property
Vc 1.03 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 819.59 J/mol×K 817.92 Joback Calculated Property
η 0.00 Pa×s 817.92 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- 7
-CH3 3

Similar Compounds

Terephthalic acid, 3-hexyl hexyl ester. Terephthalic acid, 4-heptyl pentyl ester. Terephthalic acid, heptyl 3-hexyl ester. Terephthalic acid, 4-heptyl hexyl ester. Terephthalic acid, hexadecyl 3-hexyl ester. Terephthalic acid, 3-hexyl octyl ester. Terephthalic acid, decyl 3-hexyl ester. Terephthalic acid, 3-hexyl tridecyl ester. Terephthalic acid, 3-hexyl pentadecyl ester. Terephthalic acid, 3-hexyl nonyl ester. Terephthalic acid, 3-hexyl tetradecyl ester. Terephthalic acid, heptadecyl 3-hexyl ester. Terephthalic acid, 3-hexyl undecyl ester. Terephthalic acid, 3-hexyl octadecyl ester. Terephthalic acid, dodecyl 3-hexyl ester.

Find more compounds similar to Terephthalic acid, 3-hexyl pentyl ester.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.