Chemical Properties of Sebacic acid, pentyl 4-phenylphenyl ester

Sebacic acid, pentyl 4-phenylphenyl ester

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InChI
InChI=1S/C27H36O4/c1-2-3-13-22-30-26(28)16-11-6-4-5-7-12-17-27(29)31-25-20-18-24(19-21-25)23-14-9-8-10-15-23/h8-10,14-15,18-21H,2-7,11-13,16-17,22H2,1H3
InChI Key
HBXFTFWNBDQPHB-UHFFFAOYSA-N
Formula
C27H36O4
SMILES
CCCCCOC(=O)CCCCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1
Molecular Weight1
424.57
Sources

Physical Properties

Property Value Unit Source
Δf -76.19 kJ/mol Joback Calculated Property
Δfgas -628.62 kJ/mol Joback Calculated Property
Δfus 58.95 kJ/mol Joback Calculated Property
Δvap 99.22 kJ/mol Joback Calculated Property
logPoct/wat 7.11 Crippen Calculated Property
Pc 1060.33 kPa Joback Calculated Property
Tboil 1028.08 K Joback Calculated Property
Tc 1259.02 K Joback Calculated Property
Tfus 603.73 K Joback Calculated Property
Vc 1.38 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1198.95 J/mol×K 1028.08 Joback Calculated Property
η 0.00 Pa×s 1028.08 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 9
=C< (ring) 3
-CH2- 12
-CH3 1

Similar Compounds

Sebacic acid, butyl 4-phenylphenyl ester. Sebacic acid, 4-phenylphenyl propyl ester. Adipic acid, 4-biphenyl heptyl ester. Adipic acid, 4-biphenyl nonyl ester. Adipic acid, 4-biphenyl octyl ester. Adipic acid, 4-biphenyl decyl ester. Sebacic acid, ethyl 4-phenylphenyl ester. Sebacic acid, isohexyl 4-phenylphenyl ester. Adipic acid, 4-biphenyl pentyl ester. Adipic acid, 4-biphenyl hexyl ester. Adipic acid, 4-biphenyl butyl ester. Adipic acid, 4-biphenyl propyl ester. Sebacic acid, isobutyl 4-phenylphenyl ester. Adipic acid, 4-biphenyl isohexyl ester. Adipic acid, 4-biphenyl ethyl ester.

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