Chemical Properties of Adipic acid, .beta.-citronellyl tridecyl ester

Adipic acid, .beta.-citronellyl tridecyl ester

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InChI
InChI=1S/C29H54O4/c1-5-6-7-8-9-10-11-12-13-14-17-24-32-28(30)21-15-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h19,27H,5-18,20-25H2,1-4H3
InChI Key
URSBKNYPEDFOPV-UHFFFAOYSA-N
Formula
C29H54O4
SMILES
CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCC(C)CCC=C(C)C
Molecular Weight1
466.74
Sources

Physical Properties

Property Value Unit Source
Δf -205.31 kJ/mol Joback Calculated Property
Δfgas -1029.34 kJ/mol Joback Calculated Property
Δfus 71.81 kJ/mol Joback Calculated Property
Δvap 98.11 kJ/mol Joback Calculated Property
logPoct/wat 8.72 Crippen Calculated Property
Pc 676.41 kPa Joback Calculated Property
Tboil 1019.10 K Joback Calculated Property
Tc 1263.92 K Joback Calculated Property
Tfus 526.87 K Joback Calculated Property
Vc 1.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1511.42 J/mol×K 1019.1 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 4
-CH2- 20
=C< 1
=CH- 1
>C=O (nonring) 2

Similar Compounds

Adipic acid, .beta.-citronellyl undecyl ester. Adipic acid, .beta.-citronellyl dodecyl ester. Adipic acid, .beta.-citronellyl decyl ester. Adipic acid, .beta.-citronellyl octyl ester. Adipic acid, .beta.-citronellyl tetradecyl ester. Adipic acid, .beta.-citronellyl pentadecyl ester. Adipic acid, .beta.-citronellyl heptyl ester. 3,7-Dimethyloct-6-en-1-yl palmitate. 3,7-Dimethyloct-6-en-1-yl dodecanoate. Citronellyl octanoate. 3,7-Dimethyloct-6-en-1-yl decanoate. 3,7-Dimethyloct-6-en-1-yl nonanoate. 3,7-dimethyloct-6-en-1-yl stearate. Citronellyl icosanoate. 3,7-Dimethyloct-6-en-1-yl tetradecanoate.

Find more compounds similar to Adipic acid, .beta.-citronellyl tridecyl ester.

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