Chemical Properties of 4-Aminophenylacetic acid nitrile (CAS 3544-25-0)

4-Aminophenylacetic acid nitrile

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InChI
InChI=1S/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H2
InChI Key
YCWRFIYBUQBHJI-UHFFFAOYSA-N
Formula
C8H8N2
SMILES
N#CCc1ccc(N)cc1
Molecular Weight1
132.16
CAS
3544-25-0
Other Names
  • 4-Aminophenylacetic acid nitrile
  • 4-Aminophenylacetonitrile
  • Benzeneacetonitrile, 4-amino-
  • p-Aminobenzyl cyanide
  • p-Aminophenylacetonitrile
Sources

Physical Properties

Property Value Unit Source
Δf 318.89 kJ/mol Joback Calculated Property
Δfgas 215.28 kJ/mol Joback Calculated Property
Δfus 16.83 kJ/mol Joback Calculated Property
Δvap 57.46 kJ/mol Joback Calculated Property
IE 8.26 ± 0.04 eV NIST
logPoct/wat 1.33 Crippen Calculated Property
Pc 3727.11 kPa Joback Calculated Property
Tboil 585.20 K NIST
Tboil 450.20 K NIST
Tc 830.31 K Joback Calculated Property
Tfus 367.11 K Joback Calculated Property
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 249.50 J/mol×K 588.71 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
-CH2- 1
=CH- (ring) 4
-CN 1
-NH2 1

Similar Compounds

4-Ethylaniline. Benzenamine, 4-propyl-. 2-(4-Aminophenyl)ethylamine. Aniline, p-(2-chloroethyl)-, hydrochloride. 4-Isopropylaniline. Benzeneacetonitrile. 3-Aminophenylacetic acid nitrile. Benzenamine, 4-butyl-. Benzenamine, 4,4'-(1,2-ethanediyl)bis-. Benzenamine, 4-(2-phenylethyl)-. 4-Tert-butylbenzeneamine. Benzeneacetonitrile, 4-nitro-. 4-PENTYLANILINE. Benzeneacetonitrile, 4-methyl-. N,N-Dimethyl-p-ethyl-aniline.

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