Chemical Properties of Isophthalic acid, 3,7-dimethyloct-6-enyl octyl ester

Isophthalic acid, 3,7-dimethyloct-6-enyl octyl ester

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

InChI
InChI=1S/C26H40O4/c1-5-6-7-8-9-10-18-29-25(27)23-15-12-16-24(20-23)26(28)30-19-17-22(4)14-11-13-21(2)3/h12-13,15-16,20,22H,5-11,14,17-19H2,1-4H3
InChI Key
WULLPAYPKOUGQS-UHFFFAOYSA-N
Formula
C26H40O4
SMILES
CCCCCCCCOC(=O)c1cccc(C(=O)OCCC(C)CCC=C(C)C)c1
Molecular Weight1
416.59
Sources

Physical Properties

Property Value Unit Source
Δf -127.79 kJ/mol Joback Calculated Property
Δfgas -742.36 kJ/mol Joback Calculated Property
Δfus 57.69 kJ/mol Joback Calculated Property
Δvap 94.37 kJ/mol Joback Calculated Property
logPoct/wat 7.13 Crippen Calculated Property
Pc 952.01 kPa Joback Calculated Property
Tboil 982.12 K Joback Calculated Property
Tc 1202.45 K Joback Calculated Property
Tfus 532.00 K Joback Calculated Property
Vc 1.41 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1215.30 J/mol×K 982.12 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
=C< 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 11
=CH- 1
-CH3 4
>C=O (nonring) 2

Similar Compounds

Isophthalic acid, 3,7-dimethyloct-6-enyl undecyl ester. Isophthalic acid, decyl 3,7-dimethyloct-6-enyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl tridecyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl dodecyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl heptyl ester. Isophthalic acid, di(3,7-dimethyloct-6-enyl) ester. Isophthalic acid, 3,7-dimethyloct-6-enyl pentyl ester. Isophthalic acid, butyl 3,7-dimethyloct-6-enyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl hexyl ester. Isophthalic acid, 3,7-dimethyloct-6-enyl propyl ester. Isophthalic acid, 3-methylpentyl nonyl ester. Isophthalic acid, decyl 3-methylpentyl ester. Isophthalic acid, 3-methylpentyl tetradecyl ester. Isophthalic acid, 3-methylpentyl tridecyl ester. Isophthalic acid, hexadecyl 3-methylpentyl ester.

Find more compounds similar to Isophthalic acid, 3,7-dimethyloct-6-enyl 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.