Chemical Properties of Nonanoic acid, 1-methylethyl ester (CAS 28267-32-5)

Nonanoic acid, 1-methylethyl ester

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InChI
InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3
InChI Key
DVFZGWDMFKTMFQ-UHFFFAOYSA-N
Formula
C12H24O2
SMILES
CCCCCCCCC(=O)OC(C)C
Molecular Weight1
200.32
CAS
28267-32-5
Other Names
  • Isopropyl nonanoate
  • isopropyl nonan-1-oate
Sources

Physical Properties

Property Value Unit Source
Δf -186.20 kJ/mol Joback Calculated Property
Δfgas -541.09 kJ/mol Joback Calculated Property
Δfus 26.10 kJ/mol Joback Calculated Property
Δvap 51.07 kJ/mol Joback Calculated Property
logPoct/wat 3.69 Crippen Calculated Property
Pc 1864.33 kPa Joback Calculated Property
Tboil 549.81 K Joback Calculated Property
Tc 722.69 K Joback Calculated Property
Tfus 282.16 K Joback Calculated Property
Vc 0.73 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 464.44 J/mol×K 549.81 Joback Calculated Property
η 0.00 Pa×s 549.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 7
>C=O (nonring) 1
-CH3 3

Similar Compounds

Isopropyl palmitate. Dodecanoic acid, 1-methylethyl ester. Isopropyl stearate. n-Capric acid isopropyl ester. Diisopropyl azelate. n-Octanoic acid isopropyl ester. Diisopropyl suberate. Isopropyl Myristate. Undecanoic acid, 1-methylethyl ester. Pimelic acid, di(2-propyl) ester. Pimelic acid, ethyl 2-propyl ester. Heptanoic acid, 1-methylethyl ester. Pimelic acid, propyl 2-propyl ester. Hexanoic acid, 1-methylethyl ester. Pimelic acid, butyl 2-propyl ester.

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