Chemical Properties of Sebacic acid, butyl 2,4-dimethylpent-3-yl ester

Sebacic acid, butyl 2,4-dimethylpent-3-yl ester

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InChI
InChI=1S/C21H40O4/c1-6-7-16-24-19(22)14-12-10-8-9-11-13-15-20(23)25-21(17(2)3)18(4)5/h17-18,21H,6-16H2,1-5H3
InChI Key
NCTYGTKVCDTUKF-UHFFFAOYSA-N
Formula
C21H40O4
SMILES
CCCCOC(=O)CCCCCCCCC(=O)OC(C(C)C)C(C)C
Molecular Weight1
356.54
Sources

Physical Properties

Property Value Unit Source
Δf -349.22 kJ/mol Joback Calculated Property
Δfgas -982.21 kJ/mol Joback Calculated Property
Δfus 45.15 kJ/mol Joback Calculated Property
Δvap 79.49 kJ/mol Joback Calculated Property
logPoct/wat 5.674 Crippen Calculated Property
Pc 1028.60 kPa Joback Calculated Property
Tboil 831.14 K Joback Calculated Property
Tc 1020.11 K Joback Calculated Property
Tfus 425.75 K Joback Calculated Property
Vc 1.242 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1031.67 J/mol×K 831.14 Joback Calculated Property
η 0.0000355 Pa×s 831.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 2
-CH2- 11
-CH3 5
>C=O (nonring) 2

Similar Compounds

Sebacic acid, 2,4-dimethylpent-3-yl dodecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl heptyl ester. Sebacic acid, 2,4-dimethylpent-3-yl tetradecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl nonyl ester. Sebacic acid, 2,4-dimethylpent-3-yl hexadecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl undecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl tridecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl octyl ester. Sebacic acid, 2,4-dimethylpent-3-yl pentyl ester. Sebacic acid, 2,4-dimethylpent-3-yl hexyl ester. Sebacic acid, 2,4-dimethylpent-3-yl pentadecyl ester. Sebacic acid, 2,4-dimethylpent-3-yl propyl ester. Sebacic acid, butyl 2-methylpent-3-yl ester. Sebacic acid, di(2,4-dimethylpent-3-yl) ester. Sebacic acid, 2,4-dimethylpent-3-yl isobutyl ester.

Find more compounds similar to Sebacic acid, butyl 2,4-dimethylpent-3-yl ester.

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