Chemical Properties of Dimethylmalonic acid, butyl 2-pentyl ester

Dimethylmalonic acid, butyl 2-pentyl ester

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InChI
InChI=1S/C14H26O4/c1-6-8-10-17-12(15)14(4,5)13(16)18-11(3)9-7-2/h11H,6-10H2,1-5H3
InChI Key
IIQYSLQXQYRYAF-UHFFFAOYSA-N
Formula
C14H26O4
SMILES
CCCCOC(=O)C(C)(C)C(=O)OC(C)CCC
Molecular Weight1
258.35
Sources

Physical Properties

Property Value Unit Source
Δf -400.44 kJ/mol Joback Calculated Property
Δfgas -835.92 kJ/mol Joback Calculated Property
Δfus 26.65 kJ/mol Joback Calculated Property
Δvap 63.39 kJ/mol Joback Calculated Property
logPoct/wat 3.09 Crippen Calculated Property
Pc 1675.53 kPa Joback Calculated Property
Tboil 668.63 K Joback Calculated Property
Tc 854.31 K Joback Calculated Property
Tfus 379.28 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 625.23 J/mol×K 668.63 Joback Calculated Property
η 0.00 Pa×s 668.63 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-CH3 5
-CH2- 5
>C< 1
>C=O (nonring) 2

Similar Compounds

Dimethylmalonic acid, di(2-pentyl) ester. Dimethylmalonic acid, isobutyl 2-pentyl ester. Dimethylmalonic acid, isohexyl 2-pentyl ester. Dimethylmalonic acid, heptyl 2-pentyl ester. Dimethylmalonic acid, 2-pentyl tridecyl ester. Dimethylmalonic acid, decyl 2-pentyl ester. Dimethylmalonic acid, hexadecyl 2-pentyl ester. Dimethylmalonic acid, 2-pentyl tetradecyl ester. Dimethylmalonic acid, nonyl 2-pentyl ester. Dimethylmalonic acid, pentadecyl 2-pentyl ester. Dimethylmalonic acid, octyl 2-pentyl ester. Dimethylmalonic acid, dodecyl 2-pentyl ester. Dimethylmalonic acid, ethyl 2-octyl ester. Dimethylmalonic acid, 2-octyl propyl ester. Dimethylmalonic acid, di(2-octyl) ester.

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