Chemical Properties of Heptanoic acid, 2-propyl-, methyl ester (CAS 56247-53-1)

Heptanoic acid, 2-propyl-, methyl ester

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InChI
InChI=1S/C11H22O2/c1-4-6-7-9-10(8-5-2)11(12)13-3/h10H,4-9H2,1-3H3
InChI Key
IWCYIKHCWOSDAM-UHFFFAOYSA-N
Formula
C11H22O2
SMILES
CCCCCC(CCC)C(=O)OC
Molecular Weight1
186.29
CAS
56247-53-1
Sources

Physical Properties

Property Value Unit Source
Δf -194.62 kJ/mol Joback Calculated Property
Δfgas -520.45 kJ/mol Joback Calculated Property
Δfus 23.51 kJ/mol Joback Calculated Property
Δvap 48.85 kJ/mol Joback Calculated Property
logPoct/wat 3.16 Crippen Calculated Property
Pc 2029.06 kPa Joback Calculated Property
Tboil 526.93 K Joback Calculated Property
Tc 701.19 K Joback Calculated Property
Tfus 270.89 K Joback Calculated Property
Vc 0.67 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 415.48 J/mol×K 526.93 Joback Calculated Property
η 0.00 Pa×s 526.93 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 1
-CH2- 6
>C=O (nonring) 1
-CH3 3

Similar Compounds

Heptanoic acid, 2-ethyl-, methyl ester. Octanoic acid, 2-ethyl, methyl ester. Dimethyl-2-ethylsuberate. Methyl cycloundecanecarboxylate. Hexanoic acid, 2-butyl-, methyl ester. Hexanoic acid, 2-propyl, methyl ester. Hexanoic acid, 2-ethyl-, methyl ester. c-C6H11COOCH3. Pentadecanoic acid, 2,6,10,14-tetramethyl-, methyl ester. Methyl 2,6,10-trimethyltridecanoate. Dimethyl-2,5-diethyladipate. Diethyl 2-ethyl suberate. Tetradecanoic acid, 2-methyl-, methyl ester. Decanoic acid, 2-methyl, methyl ester. Octanoic acid, 2-methyl-, methyl ester.

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