Chemical Properties of Neodecanoic acid (CAS 26896-20-8)

Neodecanoic acid

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InChI
InChI=1S/C10H20O2/c1-4-5-6-7-8-10(2,3)9(11)12/h4-8H2,1-3H3,(H,11,12)
InChI Key
IKNDGHRNXGEHTO-UHFFFAOYSA-N
Formula
C10H20O2
SMILES
CCCCCCC(C)(C)C(=O)O
Molecular Weight1
172.26
CAS
26896-20-8
Other Names
  • Wiltz-65
Sources

Physical Properties

Property Value Unit Source
Δf -229.58 kJ/mol Joback Calculated Property
Δfgas -523.29 kJ/mol Joback Calculated Property
Δfus 19.93 kJ/mol Joback Calculated Property
Δvap 59.98 kJ/mol Joback Calculated Property
logPoct/wat 3.07 Crippen Calculated Property
Pc 2490.03 kPa Joback Calculated Property
Tboil 571.02 K Joback Calculated Property
Tc 746.12 K Joback Calculated Property
Tfus 315.63 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 406.06 J/mol×K 571.02 Joback Calculated Property
η 0.00 Pa×s 571.02 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-OH (alcohol) 1
-CH3 3
>C< 1
-CH2- 5
>C=O (nonring) 1

Similar Compounds

1-Methyl-1-cyclohexanecarboxylic acid. Dodecanoic acid, 2-methyl-. Undecanoic acid, 2-methyl-. Octanoic acid, 2-methyl-. Decanoic acid, 2-methyl-. 2,6-Dimethyl-heptanoic acid. 2,2-Dimethylvaleric acid. Octanoic acid, 2,2-dimethyl, methyl ester. Heptanoic acid, 2,2-dimethyl, methyl ester. Cyclopentanecarboxylic acid, 1-methyl-. Bicyclo[2.2.2]octane-1-carboxylic acid. Bicyclo[2.2.2]octane-1-carboxylic acid, 4-methyl-. Hexanoic acid, 2-methyl-. Octanoic acid, 2-butyl-. 2-Ethylheptanoic acid.

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