Chemical Properties of Phthalic acid, hexyl hex-3-yl ester

Phthalic acid, hexyl hex-3-yl ester

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

InChI
InChI=1S/C20H30O4/c1-4-7-8-11-15-23-19(21)17-13-9-10-14-18(17)20(22)24-16(6-3)12-5-2/h9-10,13-14,16H,4-8,11-12,15H2,1-3H3
InChI Key
CEPBVMDNNOGTER-UHFFFAOYSA-N
Formula
C20H30O4
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCC
Molecular Weight1
334.45
Sources

Physical Properties

Property Value Unit Source
Δf -249.98 kJ/mol Joback Calculated Property
Δfgas -725.95 kJ/mol Joback Calculated Property
Δfus 43.26 kJ/mol Joback Calculated Property
Δvap 80.98 kJ/mol Joback Calculated Property
logPoct/wat 5.16 Crippen Calculated Property
Pc 1349.66 kPa Joback Calculated Property
Tboil 840.80 K Joback Calculated Property
Tc 1042.55 K Joback Calculated Property
Tfus 483.42 K Joback Calculated Property
Vc 1.09 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 878.24 J/mol×K 840.8 Joback Calculated Property
η 0.00 Pa×s 840.8 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- 8
-CH3 3

Similar Compounds

Phthalic acid, heptyl hex-3-yl ester. Phthalic acid, hept-4-yl hexyl ester. Phthalic acid, hex-3-yl nonyl ester. Phthalic acid, hexadecyl hex-3-yl ester. Phthalic acid, decyl hex-3-yl ester. Phthalic acid, hex-3-yl pentadecyl ester. Phthalic acid, hex-3-yl octyl ester. Phthalic acid, hex-3-yl undecyl ester. Phthalic acid, dodecyl hex-3-yl ester. Phthalic acid, hex-3-yl tridecyl ester. Phthalic acid, heptyl hept-4-yl ester. Phthalic acid, hept-3-yl hexyl ester. Phthalic acid, dodecyl hept-4-yl ester. Phthalic acid, hept-4-yl pentadecyl ester. Phthalic acid, decyl hept-4-yl ester.

Find more compounds similar to Phthalic acid, hexyl hex-3-yl 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.