Chemical Properties of Acetic acid, cyano-, ethyl ester (CAS 105-56-6)

Acetic acid, cyano-, ethyl ester

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InChI
InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
InChI Key
ZIUSEGSNTOUIPT-UHFFFAOYSA-N
Formula
C5H7NO2
SMILES
CCOC(=O)CC#N
Molecular Weight1
113.11
CAS
105-56-6
Other Names
  • Acetic acid, 2-cyano-, ethyl ester
  • Acetic acid, cyano-, ethyl ester
  • Cyanacetate ethyle
  • Cyanoacetic acid, ethyl ester
  • Cyanoacetic ester
  • Estere cianoacetico
  • Ethyl cyanacetate
  • Ethyl cyanoethanoate
  • Ethyl ester of cyanoacetic acid
  • Ethylester kyseliny kyanoctove
  • Malonic acid, ethyl ester nitrile
  • NCCH2COOC2H5
  • NSC 8844
  • UN 2666
  • USAF KF-25
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2638.00 kJ/mol NIST
Δf -109.52 kJ/mol Joback Calculated Property
Δfgas -226.45 kJ/mol Joback Calculated Property
Δfliquid -330.30 kJ/mol NIST
Δfus 13.00 kJ/mol Joback Calculated Property
Δvap 46.36 kJ/mol Joback Calculated Property
logPoct/wat 0.46 Crippen Calculated Property
Pc 3555.77 kPa Joback Calculated Property
liquid 275.33 J/mol×K NIST
liquid 177.45 J/mol×K NIST
Tboil 482.20 K NIST
Tc 692.81 K Joback Calculated Property
Tfus 371.65 ± 1.50 K NIST
Ttriple 247.00 ± 1.00 K NIST
Ttriple 160.00 ± 1.00 K NIST
Ttriple 246.80 ± 0.10 K NIST
Vc 0.37 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 183.09 J/mol×K 492.17 Joback Calculated Property
Cp,liquid 220.22 J/mol×K 298.15 NIST
Cp,liquid 222.04 J/mol×K 300.0 NIST
ΔfusH 11.78 kJ/mol 246.8 NIST
ΔfusH 11.78 kJ/mol 246.8 NIST
ΔvapH 66.90 kJ/mol 409.5 NIST

Molecular Descriptors

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

Similar Compounds

n-Propyl cyanoacetate. Acetic acid, cyano-, methyl ester. Acetic acid, cyano-, 2-methoxyethyl ester. n-Butyl cyanoacetate. Propanoic acid, ethyl ester. Ethyl 2-cyanopropanoate. Cyanoacetic acid, hexyl ester. Propanoic acid, propyl ester. Propanoic acid, 2-hydroxyethyl ester. Cyanoacetic acid, heptyl ester. Cyanoacetic acid, heptadecyl ester. Cyanoacetic acid, octadecyl ester. Cyanoacetic acid, pentadecyl ester. Cyanoacetic acid, hexadecyl ester. Cyanoacetic acid, octyl ester.

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