Chemical Properties of Phthalic acid, trans-hex-3-enyl tridecyl ester

Phthalic acid, trans-hex-3-enyl tridecyl ester

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

InChI
InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-31-27(29)25-21-17-16-20-24(25)26(28)30-22-18-8-6-4-2/h6,8,16-17,20-21H,3-5,7,9-15,18-19,22-23H2,1-2H3/b8-6+
InChI Key
JFRVXGOKXVYMTR-SOFGYWHQSA-N
Formula
C27H42O4
SMILES
CCC=CCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCCC
Molecular Weight1
430.62
Sources

Physical Properties

Property Value Unit Source
Δf -108.38 kJ/mol Joback Calculated Property
Δfgas -747.93 kJ/mol Joback Calculated Property
Δfus 65.11 kJ/mol Joback Calculated Property
Δvap 96.90 kJ/mol Joback Calculated Property
logPoct/wat 7.67 Crippen Calculated Property
Pc 891.07 kPa Joback Calculated Property
Tboil 1005.56 K Joback Calculated Property
Tc 1232.11 K Joback Calculated Property
Tfus 572.23 K Joback Calculated Property
Vc 1.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1277.89 J/mol×K 1005.56 Joback Calculated Property
η 0.00 Pa×s 1005.56 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 15
=CH- 2
-CH3 2

Similar Compounds

Phthalic acid, hexadecyl trans-hex-3-enyl ester. Phthalic acid, nonyl trans-hex-3-enyl ester. Phthalic acid, cis-hex-3-enyl heptadecyl ester. Phthalic acid, octadecyl trans-hex-3-enyl ester. Phthalic acid, octyl trans-hex-3-enyl ester. Phthalic acid, dodecyl trans-hex-3-enyl ester. Phthalic acid, tetradecyl trans-hex-3-enyl ester. Phthalic acid, trans-hex-3-enyl undecyl ester. Phthalic acid, pentadecyl trans-hex-3-enyl ester. Phthalic acid, cis-hex-3-enyl tetradecyl ester. Phthalic acid, cis-hex-3-enyl pentadecyl ester. Phthalic acid, cis-hex-3-enyl hexadecyl ester. Phthalic acid, cis-hex-3-enyl tridecyl ester. Phthalic acid, heptadecyl trans-hex-3-enyl ester. Phthalic acid, cis-hex-3-enyl, octadecyl ester.

Find more compounds similar to Phthalic acid, trans-hex-3-enyl tridecyl 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.