Chemical Properties of Sebacic acid, 4-cyanophenyl ethyl ester

Sebacic acid, 4-cyanophenyl ethyl ester

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InChI
InChI=1S/C19H25NO4/c1-2-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(15-20)12-14-17/h11-14H,2-10H2,1H3
InChI Key
HOIBETSIIPOZNB-UHFFFAOYSA-N
Formula
C19H25NO4
SMILES
CCOC(=O)CCCCCCCCC(=O)Oc1ccc(C#N)cc1
Molecular Weight1
331.41
Sources

Physical Properties

Property Value Unit Source
Δf -122.78 kJ/mol Joback Calculated Property
Δfgas -535.15 kJ/mol Joback Calculated Property
Δfus 45.70 kJ/mol Joback Calculated Property
Δvap 89.62 kJ/mol Joback Calculated Property
logPoct/wat 4.15 Crippen Calculated Property
Pc 1414.37 kPa Joback Calculated Property
Tboil 920.44 K Joback Calculated Property
Tc 1135.27 K Joback Calculated Property
Tfus 552.14 K Joback Calculated Property
Vc 1.07 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 842.80 J/mol×K 920.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CN 1
-CH3 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 9
>C=O (nonring) 2

Similar Compounds

Sebacic acid, 4-cyanophenyl propyl ester. Sebacic acid, butyl 4-cyanophenyl ester. Sebacic acid, 4-cyanophenyl pentyl ester. Sebacic acid, 4-cyanophenyl heptyl ester. Sebacic acid, 4-cyanophenyl decyl ester. Sebacic acid, 4-cyanophenyl nonyl ester. Sebacic acid, 4-cyanophenyl octyl ester. Sebacic acid, 4-cyanophenyl hexyl ester. Sebacic acid, 4-cyanophenyl isohexyl ester. Sebacic acid, 4-cyanophenyl isobutyl ester. Glutaric acid, 4-cyanophenyl pentadecyl ester. Glutaric acid, 4-cyanophenyl nonyl ester. Glutaric acid, 4-cyanophenyl tridecyl ester. Glutaric acid, 4-cyanophenyl undecyl ester. Glutaric acid, 4-cyanophenyl octyl ester.

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