Chemical Properties of Phthalic acid, oct-3-yl undecyl ester

Phthalic acid, oct-3-yl undecyl ester

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

InChI
InChI=1S/C27H44O4/c1-4-7-9-10-11-12-13-14-18-22-30-26(28)24-20-16-17-21-25(24)27(29)31-23(6-3)19-15-8-5-2/h16-17,20-21,23H,4-15,18-19,22H2,1-3H3
InChI Key
QUBXWFOJIHKQRS-UHFFFAOYSA-N
Formula
C27H44O4
SMILES
CCCCCCCCCCCOC(=O)c1ccccc1C(=O)OC(CC)CCCCC
Molecular Weight1
432.64
Sources

Physical Properties

Property Value Unit Source
Δf -191.04 kJ/mol Joback Calculated Property
Δfgas -870.43 kJ/mol Joback Calculated Property
Δfus 61.39 kJ/mol Joback Calculated Property
Δvap 96.56 kJ/mol Joback Calculated Property
logPoct/wat 7.89 Crippen Calculated Property
Pc 868.11 kPa Joback Calculated Property
Tboil 1000.96 K Joback Calculated Property
Tc 1226.87 K Joback Calculated Property
Tfus 562.31 K Joback Calculated Property
Vc 1.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1306.77 J/mol×K 1000.96 Joback Calculated Property
η 0.00 Pa×s 1000.96 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- 15
-CH3 3

Similar Compounds

Phthalic acid, heptyl oct-3-yl ester. Phthalic acid, nonyl oct-3-yl ester. Phthalic acid, dodecyl oct-3-yl ester. Phthalic acid, decyl oct-3-yl ester. Phthalic acid, octyl oct-3-yl ester. Phthalic acid, hept-3-yl octyl ester. Phthalic acid, di(oct-3-yl) ester. Phthalic acid, hept-3-yl nonyl ester. Phthalic acid, hept-3-yl undecyl ester. Phthalic acid, decyl hept-3-yl ester. Phthalic acid, dodecyl hept-3-yl ester. Phthalic acid, hept-3-yl tridecyl ester. Phthalic acid, ethyl oct-3-yl ester. Phthalic acid, hexyl oct-3-yl ester. Phthalic acid, butyl oct-3-yl ester.

Find more compounds similar to Phthalic acid, oct-3-yl undecyl 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.