Chemical Properties of Adipic acid, isohexyl 2-methylpent-3-yl ester

Adipic acid, isohexyl 2-methylpent-3-yl ester

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InChI
InChI=1S/C18H34O4/c1-6-16(15(4)5)22-18(20)12-8-7-11-17(19)21-13-9-10-14(2)3/h14-16H,6-13H2,1-5H3
InChI Key
XDQLPYGQZOCXOR-UHFFFAOYSA-N
Formula
C18H34O4
SMILES
CCC(OC(=O)CCCCC(=O)OCCCC(C)C)C(C)C
Molecular Weight1
314.46
Sources

Physical Properties

Property Value Unit Source
Δf -374.48 kJ/mol Joback Calculated Property
Δfgas -920.29 kJ/mol Joback Calculated Property
Δfus 37.38 kJ/mol Joback Calculated Property
Δvap 72.81 kJ/mol Joback Calculated Property
logPoct/wat 4.504 Crippen Calculated Property
Pc 1248.61 kPa Joback Calculated Property
Tboil 762.50 K Joback Calculated Property
Tc 945.56 K Joback Calculated Property
Tfus 391.94 K Joback Calculated Property
Vc 1.073 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 850.95 J/mol×K 762.5 Joback Calculated Property
η 0.0000552 Pa×s 762.5 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 3
-O- (nonring) 2
-CH2- 8
>C=O (nonring) 2
-CH3 5

Similar Compounds

Adipic acid, 2,4-dimethylpent-3-yl isohexyl ester. Adipic acid, 2-methylpent-3-yl pentyl ester. Adipic acid, hexyl 2-methylpent-3-yl ester. Adipic acid, butyl 2-methylpent-3-yl ester. Adipic acid, 2,4-dimethylpent-3-yl hexyl ester. Adipic acid, 2,4-dimethylpent-3-yl pentyl ester. Adipic acid, heptyl 2-methylpent-3-yl ester. Adipic acid, heptadecyl 2-methylpent-3-yl ester. Adipic acid, 2-methylpent-3-yl pentadecyl ester. Adipic acid, 2-methylpent-3-yl undecyl ester. Adipic acid, hexadecyl 2-methylpent-3-yl ester. Adipic acid, 2-methylpent-3-yl nonyl ester. Adipic acid, eicosyl 2-methylpent-3-yl ester. Adipic acid, dodecyl 2-methylpent-3-yl ester. Adipic acid, decyl 2-methylpent-3-yl ester.

Find more compounds similar to Adipic acid, isohexyl 2-methylpent-3-yl ester.

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