Chemical Properties of Propanoic acid, 2-methyl-, 1-methylbutyl ester (CAS 54340-93-1)

Propanoic acid, 2-methyl-, 1-methylbutyl ester

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InChI
InChI=1S/C9H18O2/c1-5-6-8(4)11-9(10)7(2)3/h7-8H,5-6H2,1-4H3
InChI Key
DUNWRGFRZIHKPT-UHFFFAOYSA-N
Formula
C9H18O2
SMILES
CCCC(C)OC(=O)C(C)C
Molecular Weight1
158.24
CAS
54340-93-1
Other Names
  • 2-Pentyl 2-methylpropanoate
  • «alpha»-Methylbutyl isobutyrate
Sources

Physical Properties

Property Value Unit Source
Δf -213.90 kJ/mol Joback Calculated Property
Δfgas -484.45 kJ/mol Joback Calculated Property
Δfus 14.81 kJ/mol Joback Calculated Property
Δvap 44.01 kJ/mol Joback Calculated Property
logPoct/wat 2.37 Crippen Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Tboil 480.73 K Joback Calculated Property
Tc 661.81 K Joback Calculated Property
Tfus 233.35 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 323.22 J/mol×K 480.73 Joback Calculated Property
η 0.00 Pa×s 480.73 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Propanoic acid, 2-methyl-, 1-methylpropyl ester. 2-Pentanol, propanoate. Propanoic acid, 2-methyl-, cyclohexyl ester. Butanoic acid, 1-methylbutyl ester. Propanoic acid, 2,2-dimethyl, 1-methylpropyl ester. 2-Pentanol, 3-methylbutanoate. 2-Ethylbutyric acid, 4-methylpent-2-yl ester. 2-Ethylbutyric acid, 2-hexyl ester. Butanoic acid, 2-methyl-, 1-methylpropyl ester. Propanoic acid, 1,2-dimethylpropyl ester. 2-Ethylbutyric acid, 3-methylpent-2-yl ester. Propanoic acid, 2,2-dimethyl-, cyclohexyl ester. 3-Chloropropanoic acid, 2-pentyl ester. Glutaric acid, isobutyl 2-pentyl ester. Pentanoic acid, 2-pentyl ester.

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