Chemical Properties of 4-Acetamidophenylacetonitrile (CAS 25025-06-3)

4-Acetamidophenylacetonitrile

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InChI
InChI=1S/C10H10N2O/c1-8(13)12-10-4-2-9(3-5-10)6-7-11/h2-5H,6H2,1H3,(H,12,13)
InChI Key
SPAOQNOLRMENDZ-UHFFFAOYSA-N
Formula
C10H10N2O
SMILES
CC(O)=Nc1ccc(CC#N)cc1
Molecular Weight1
174.20
CAS
25025-06-3
Sources

Physical Properties

Property Value Unit Source
Δfgas 60.41 kJ/mol Joback Calculated Property
Δvap 71.34 kJ/mol Joback Calculated Property
logPoct/wat 2.36 Crippen Calculated Property
Pc 2784.72 kPa Joback Calculated Property
Tboil 730.68 K Joback Calculated Property
Tc 954.90 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-CN 1
=C< 1
-N= 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
-CH2- 1
-CH3 1

Similar Compounds

4-Acetamidoacetophenone. Acetamide, n-(4-benzylphenyl)-. 4-Aminophenylacetic acid nitrile. 4-Ethylphenyl isocyanate. 4-Ethylphenyl isothiocyanate. Acetamide, N-(2,4-dimethylphenyl)-. Propanamide, N-(3-methylphenyl)-3-phenyl-. 4-Isopropylphenyl isothiocyanate. 4-Butylphenyl isothiocyanate. 4-t-Butylphenyl isothiocyanate. Acetamide, N-(2,6-dimethylphenyl)-. Butanamide, N-(3-methylphenyl)-. Acetanilide, 2-chloro-4-tert-butyl-. Acetamide, N-(2,5-dimethylphenyl)-. 4-Isocyanatoacetophenone.

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