Chemical Properties of Octanoic acid, 2,2-dimethyl, methyl ester (CAS 14250-74-9)

Octanoic acid, 2,2-dimethyl, methyl ester

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InChI
InChI=1S/C11H22O2/c1-5-6-7-8-9-11(2,3)10(12)13-4/h5-9H2,1-4H3
InChI Key
BAKOMPNQDRRCQN-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCCC(C)(C)C(=O)OC
Molecular Weight1
186.29
CAS
14250-74-9
Other Names
  • methyl 2,2-dimethyloctanoate
Sources

Physical Properties

Property Value Unit Source
Δf -189.34 kJ/mol Joback Calculated Property
Δfgas -523.92 kJ/mol Joback Calculated Property
Δfus 19.62 kJ/mol Joback Calculated Property
Δvap 47.94 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 2049.31 kPa Joback Calculated Property
Tboil 524.14 K Joback Calculated Property
Tc 704.63 K Joback Calculated Property
Tfus 288.31 K Joback Calculated Property
Vc 0.66 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 418.15 J/mol×K 524.14 Joback Calculated Property
η 0.00 Pa×s 524.14 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH2- 5
>C=O (nonring) 1
>C< 1
-CH3 4

Similar Compounds

Heptanoic acid, 2,2-dimethyl, methyl ester. Hexanoic acid, 2,2-dimethyl, methyl ester. Heptanoic acid, 2-ethyl-2-methyl, methyl ester. Cyclohexane-1-carboxylic acid, 1-methyl, methyl ester. Hexanoic acid, 2-methyl-2-propyl-, methyl ester. Pentanoic acid, 2,2-dimethyl-, methyl ester. Cyclohexanecarboxylic acid, 1-propyl-, methyl ester. Cyclohexanecarboxylic acid, 1-butyl-, methyl ester. Cyclohexanecarboxylic acid, 1-ethyl-, methyl ester. Hexanoic acid, 2-ethyl-2-methyl, methyl ester. Octanoic acid, 2-methyl-, methyl ester. Decanoic acid, 2-methyl, methyl ester. 2-Methylnonanoic acid, methyl ester. Tetradecanoic acid, 2-methyl-, methyl ester. Undecanoic acid, 2-methyl-, methyl ester.

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