Chemical Properties of n-Butyl cyanoacetate (CAS 5459-58-5)

n-Butyl cyanoacetate

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
InChI Key
DJACTCNGCHPGOI-UHFFFAOYSA-N
Formula
C7H11NO2
SMILES
CCCCOC(=O)CC#N
Molecular Weight1
141.17
CAS
5459-58-5
Other Names
  • Acetic acid, cyano-, butyl ester
  • Butyl cyanoacetate
  • Cyanoacetic acid n-butyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -92.68 kJ/mol Joback Calculated Property
Δfgas -267.73 kJ/mol Joback Calculated Property
Δfus 18.18 kJ/mol Joback Calculated Property
Δvap 50.81 kJ/mol Joback Calculated Property
logPoct/wat 1.24 Crippen Calculated Property
Pc 2862.74 kPa Joback Calculated Property
Tboil 388.20 K NIST
Tc 733.24 K Joback Calculated Property
Tfus 305.80 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 265.53 J/mol×K 537.93 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

n-Propyl cyanoacetate. Cyanoacetic acid, hexyl ester. Cyanoacetic acid, heptyl ester. Cyanoacetic acid, heptadecyl ester. Cyanoacetic acid, octyl ester. Cyanoacetic acid, hexadecyl ester. Cyanoacetic acid, pentadecyl ester. Cyanoacetic acid, octadecyl ester. Cyanoacetic acid, dodecyl ester. Cyanoacetic acid, nonyl ester. Propanoic acid, butyl ester. Acetic acid, cyano-, ethyl ester. Butanoic acid, butyl ester. Amyl propionate. 1,4-Butanediol, dipropionate.

Find more compounds similar to n-Butyl cyanoacetate.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.