Chemical Properties of Cyanoacetic acid, hexyl ester

Cyanoacetic acid, hexyl ester

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InChI
InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3
InChI Key
PWKKBTPSCGLYBR-UHFFFAOYSA-N
Formula
C9H15NO2
SMILES
CCCCCCOC(=O)CC#N
Molecular Weight1
169.22
Sources

Physical Properties

Property Value Unit Source
Δf -75.84 kJ/mol Joback Calculated Property
Δfgas -309.01 kJ/mol Joback Calculated Property
Δfus 23.36 kJ/mol Joback Calculated Property
Δvap 55.26 kJ/mol Joback Calculated Property
logPoct/wat 2.02 Crippen Calculated Property
Pc 2354.20 kPa Joback Calculated Property
Tboil 583.69 K Joback Calculated Property
Tc 774.12 K Joback Calculated Property
Tfus 328.34 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 355.74 J/mol×K 583.69 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Cyanoacetic acid, heptyl ester. Cyanoacetic acid, pentadecyl ester. Cyanoacetic acid, octadecyl ester. Cyanoacetic acid, dodecyl ester. Cyanoacetic acid, hexadecyl ester. Cyanoacetic acid, heptadecyl ester. Cyanoacetic acid, octyl ester. Cyanoacetic acid, nonyl ester. n-Butyl cyanoacetate. Propanoic acid, hexyl ester. Propanoic acid, heptyl ester. Propanoic acid, hexadecyl ester. Propanoic acid, octyl ester. Eicosanyl propionate. PROPANOIC ACID, NONYL ESTER.

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