Chemical Properties of Sebacic acid, di(2-methylpent-3-yl) ester

Sebacic acid, di(2-methylpent-3-yl) ester

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InChI
InChI=1S/C22H42O4/c1-7-19(17(3)4)25-21(23)15-13-11-9-10-12-14-16-22(24)26-20(8-2)18(5)6/h17-20H,7-16H2,1-6H3
InChI Key
SKOOWHRLXQSSJP-UHFFFAOYSA-N
Formula
C22H42O4
SMILES
CCC(OC(=O)CCCCCCCCC(=O)OC(CC)C(C)C)C(C)C
Molecular Weight1
370.57
Sources

Physical Properties

Property Value Unit Source
Δf -343.24 kJ/mol Joback Calculated Property
Δfgas -1008.13 kJ/mol Joback Calculated Property
Δfus 44.22 kJ/mol Joback Calculated Property
Δvap 81.33 kJ/mol Joback Calculated Property
logPoct/wat 6.06 Crippen Calculated Property
Pc 972.91 kPa Joback Calculated Property
Tboil 853.58 K Joback Calculated Property
Tc 1046.48 K Joback Calculated Property
Tfus 422.02 K Joback Calculated Property
Vc 1.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1093.89 J/mol×K 853.58 Joback Calculated Property
η 0.00 Pa×s 853.58 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 4
-O- (nonring) 2
-CH2- 10
>C=O (nonring) 2
-CH3 6

Similar Compounds

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

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