Chemical Properties of Nonanoic acid, 3-methylbutyl-2 ester

Nonanoic acid, 3-methylbutyl-2 ester

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InChI
InChI=1S/C14H28O2/c1-5-6-7-8-9-10-11-14(15)16-13(4)12(2)3/h12-13H,5-11H2,1-4H3
InChI Key
HROZBGLNCSSSMV-UHFFFAOYSA-N
Formula
C14H28O2
SMILES
CCCCCCCCC(=O)OC(C)C(C)C
Molecular Weight1
228.37
Sources

Physical Properties

Property Value Unit Source
Δf -171.80 kJ/mol Joback Calculated Property
Δfgas -587.65 kJ/mol Joback Calculated Property
Δfus 27.76 kJ/mol Joback Calculated Property
Δvap 55.14 kJ/mol Joback Calculated Property
logPoct/wat 4.32 Crippen Calculated Property
Pc 1600.00 kPa Joback Calculated Property
Tboil 595.13 K Joback Calculated Property
Tc 768.62 K Joback Calculated Property
Tfus 289.70 K Joback Calculated Property
Vc 0.83 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 567.68 J/mol×K 595.13 Joback Calculated Property
η 0.00 Pa×s 595.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-CH2- 7
>C=O (nonring) 1
-CH3 4

Similar Compounds

Sebacic acid, di(3-methylbut-2-yl) ester. Sebacic acid, ethyl 3-methylbut-2-yl ester. Sebacic acid, 3-methylbut-2-yl propyl ester. Dodecanoic acid, 3-methylbutyl-2 ester. Sebacic acid, isobutyl 3-methylbut-2-yl ester. Sebacic acid, 3-methylbut-2-yl pentadecyl ester. Sebacic acid, 3-methylbut-2-yl pentyl ester. Sebacic acid, 3-methylbut-2-yl tetradecyl ester. Sebacic acid, 3-methylbut-2-yl nonyl ester. Sebacic acid, decyl 3-methylbut-2-yl ester. Sebacic acid, heptyl 3-methylbut-2-yl ester. Sebacic acid, hexyl 3-methylbut-2-yl ester. Sebacic acid, 3-methylbut-2-yl undecyl ester. Sebacic acid, dodecyl 3-methylbut-2-yl ester. Sebacic acid, heptadecyl 3-methylbut-2-yl ester.

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