Chemical Properties of Sebacic acid, isobutyl 4-(2-phenylpropyl-2)-phenyl ester

Sebacic acid, isobutyl 4-(2-phenylpropyl-2)-phenyl ester

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InChI
InChI=1S/C29H40O4/c1-23(2)22-32-27(30)16-12-7-5-6-8-13-17-28(31)33-26-20-18-25(19-21-26)29(3,4)24-14-10-9-11-15-24/h9-11,14-15,18-21,23H,5-8,12-13,16-17,22H2,1-4H3
InChI Key
IUUPLMXJADRNIM-UHFFFAOYSA-N
Formula
C29H40O4
SMILES
CC(C)COC(=O)CCCCCCCCC(=O)Oc1ccc(C(C)(C)c2ccccc2)cc1
Molecular Weight1
452.63
Sources

Physical Properties

Property Value Unit Source
Δf -58.95 kJ/mol Joback Calculated Property
Δfgas -683.93 kJ/mol Joback Calculated Property
Δfus 53.20 kJ/mol Joback Calculated Property
Δvap 101.99 kJ/mol Joback Calculated Property
logPoct/wat 7.24 Crippen Calculated Property
Pc 954.96 kPa Joback Calculated Property
Tboil 1070.17 K Joback Calculated Property
Tc 1310.26 K Joback Calculated Property
Tfus 613.69 K Joback Calculated Property
Vc 1.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1322.95 J/mol×K 1070.17 Joback Calculated Property
η 0.00 Pa×s 1070.17 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 9
=C< (ring) 3
-CH2- 9
>C< 1
-CH3 4

Similar Compounds

Sebacic acid, 4-(2-phenylpropyl-2)-phenyl propyl ester. Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester. Sebacic acid, ethyl 4-(2-phenylpropyl-2)-phenyl ester. Sebacic acid, isobutyl 4-isopropylphenyl ester. Sebacic acid, 4-isopropylphenyl nonyl ester. Sebacic acid, heptyl 4-isopropylphenyl ester. Sebacic acid, hexyl 4-isopropylphenyl ester. Sebacic acid, 4-isopropylphenyl octyl ester. Sebacic acid, 4-isopropylphenyl undecyl ester. Sebacic acid, 4-isopropylphenyl decyl ester. Sebacic acid, 4-isopropylphenyl pentyl ester. Sebacic acid, 4-isopropylphenyl propyl ester. Sebacic acid, butyl 4-isopropylphenyl ester. Sebacic acid, isohexyl 4-isopropylphenyl ester. Sebacic acid, ethyl 4-isopropylphenyl ester.

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