Chemical Properties of Sebacic acid, isohexyl 1-phenylpropyl ester

Sebacic acid, isohexyl 1-phenylpropyl ester

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InChI
InChI=1S/C25H40O4/c1-4-23(22-16-10-9-11-17-22)29-25(27)19-13-8-6-5-7-12-18-24(26)28-20-14-15-21(2)3/h9-11,16-17,21,23H,4-8,12-15,18-20H2,1-3H3
InChI Key
XOMCIYBTFOESMS-UHFFFAOYSA-N
Formula
C25H40O4
SMILES
CCC(OC(=O)CCCCCCCCC(=O)OCCCC(C)C)c1ccccc1
Molecular Weight1
404.58
Sources

Physical Properties

Property Value Unit Source
Δf -200.69 kJ/mol Joback Calculated Property
Δfgas -822.96 kJ/mol Joback Calculated Property
Δfus 53.07 kJ/mol Joback Calculated Property
Δvap 91.06 kJ/mol Joback Calculated Property
logPoct/wat 6.78 Crippen Calculated Property
Pc 989.51 kPa Joback Calculated Property
Tboil 949.78 K Joback Calculated Property
Tc 1163.15 K Joback Calculated Property
Tfus 512.25 K Joback Calculated Property
Vc 1.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1182.65 J/mol×K 949.78 Joback Calculated Property
η 0.00 Pa×s 949.78 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 5
=C< (ring) 1
-CH2- 12
-CH3 3

Similar Compounds

Sebacic acid, decyl 1-phenylpropyl ester. Sebacic acid, heptyl 1-phenylpropyl ester. Sebacic acid, pentyl 1-phenylpropyl ester. Sebacic acid, octyl 1-phenylpropyl ester. Sebacic acid, hexyl 1-phenylpropyl ester. Sebacic acid, butyl 1-phenylpropyl ester. Sebacic acid, ethyl 1-phenylpropyl ester. Sebacic acid, di(1-phenylpropyl) ester. Sebacic acid, isobutyl 1-phenylpropyl ester. Glutaric acid, octyl 1-phenylpropyl ester. Glutaric acid, 1-phenylpropyl tridecyl ester. Glutaric acid, isohexyl 1-phenylpropyl ester. Glutaric acid, 1-phenylpropyl undecyl ester. Glutaric acid, dodecyl 1-phenylpropyl ester. Glutaric acid, decyl 1-phenylpropyl ester.

Find more compounds similar to Sebacic acid, isohexyl 1-phenylpropyl ester.

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