Chemical Properties of Sebacic acid, butyl 3,5-dimethylphenyl ester

Sebacic acid, butyl 3,5-dimethylphenyl ester

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

InChI
InChI=1S/C22H34O4/c1-4-5-14-25-21(23)12-10-8-6-7-9-11-13-22(24)26-20-16-18(2)15-19(3)17-20/h15-17H,4-14H2,1-3H3
InChI Key
OBMBFIBVDYEJSJ-UHFFFAOYSA-N
Formula
C22H34O4
SMILES
CCCCOC(=O)CCCCCCCCC(=O)Oc1cc(C)cc(C)c1
Molecular Weight1
362.50
Sources

Physical Properties

Property Value Unit Source
Δf -240.33 kJ/mol Joback Calculated Property
Δfgas -773.42 kJ/mol Joback Calculated Property
Δfus 51.57 kJ/mol Joback Calculated Property
Δvap 86.48 kJ/mol Joback Calculated Property
logPoct/wat 5.67 Crippen Calculated Property
Pc 1159.29 kPa Joback Calculated Property
Tboil 891.98 K Joback Calculated Property
Tc 1096.12 K Joback Calculated Property
Tfus 533.48 K Joback Calculated Property
Vc 1.21 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 996.72 J/mol×K 891.98 Joback Calculated Property
η 0.00 Pa×s 891.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 11
-CH3 3

Similar Compounds

Sebacic acid, 3,5-dimethylphenyl heptyl ester. Sebacic acid, 3,5-dimethylphenyl octyl ester. Sebacic acid, 3,5-dimethylphenyl pentyl ester. Sebacic acid, 3,5-dimethylphenyl nonyl ester. Sebacic acid, 3,5-dimethylphenyl dodecyl ester. Sebacic acid, decyl 3,5-dimethylphenyl ester. Sebacic acid, 3,5-dimethylphenyl undecyl ester. Sebacic acid, 3,5-dimethylphenyl hexyl ester. Sebacic acid, 3,5-dimethylphenyl propyl ester. Sebacic acid, 3,5-dimethylphenyl ethyl ester. Sebacic acid, 3,5-dimethylphenyl isohexyl ester. Sebacic acid, 3,5-dimethylphenyl isobutyl ester. Sebacic acid, butyl 3-methylphenyl ester. Sebacic acid, 3-methylphenyl nonyl ester. Sebacic acid, 3-methylphenyl octyl ester.

Find more compounds similar to Sebacic acid, butyl 3,5-dimethylphenyl 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.