Chemical Properties of Terephthalic acid, 3-methylbut-2-yl octyl ester

Terephthalic acid, 3-methylbut-2-yl octyl ester

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

InChI
InChI=1S/C21H32O4/c1-5-6-7-8-9-10-15-24-20(22)18-11-13-19(14-12-18)21(23)25-17(4)16(2)3/h11-14,16-17H,5-10,15H2,1-4H3
InChI Key
VFPYVXBWLWKFHB-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCCCOC(=O)c1ccc(C(=O)OC(C)C(C)C)cc1
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -244.00 kJ/mol Joback Calculated Property
Δfgas -751.87 kJ/mol Joback Calculated Property
Δfus 42.33 kJ/mol Joback Calculated Property
Δvap 82.81 kJ/mol Joback Calculated Property
logPoct/wat 5.41 Crippen Calculated Property
Pc 1266.45 kPa Joback Calculated Property
Tboil 863.24 K Joback Calculated Property
Tc 1067.43 K Joback Calculated Property
Tfus 479.69 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 938.15 J/mol×K 863.24 Joback Calculated Property
η 0.00 Pa×s 863.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 7
-CH3 4

Similar Compounds

Terephthalic acid, 3-methylbut-2-yl tetradecyl ester. Terephthalic acid, 3-methylbut-2-yl undecyl ester. Terephthalic acid, decyl 3-methylbut-2-yl ester. Terephthalic acid, dodecyl 3-methylbut-2-yl ester. Terephthalic acid, 3-methylbut-2-yl nonyl ester. Terephthalic acid, 3-methylbut-2-yl tridecyl ester. Terephthalic acid, 3-methylbut-2-yl hexadecyl ester. Terephthalic acid, 3-methylbut-2-yl pentadecyl ester. Terephthalic acid, heptyl 3-methylbut-2-yl ester. Terephthalic acid, hexyl 3-methylbut-2-yl ester. Terephthalic acid, 3-methylbut-2-yl pentyl ester. Terephthalic acid, 2-methylpent-3-yl tetradecyl ester. Terephthalic acid, hexadecyl 2-methylpent-3-yl ester. Terephthalic acid, 2-methylpent-3-yl nonyl ester. Terephthalic acid, dodecyl 2-methylpent-3-yl ester.

Find more compounds similar to Terephthalic acid, 3-methylbut-2-yl octyl 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.