Chemical Properties of «beta»-Cyanopropiophenone (CAS 5343-98-6)

«beta»-Cyanopropiophenone

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InChI
InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
InChI Key
OSPRTYTUQJCKFF-UHFFFAOYSA-N
Formula
C10H9NO
SMILES
N#CCCC(=O)c1ccccc1
Molecular Weight1
159.18
CAS
5343-98-6
Sources

Physical Properties

Property Value Unit Source
Δcsolid -5149.96 ± 0.46 kJ/mol NIST
Δf 149.99 kJ/mol Joback Calculated Property
Δfgas 30.00 ± 0.46 kJ/mol NIST
Δfsolid -71.46 ± 0.46 kJ/mol NIST
Δfus 18.80 kJ/mol Joback Calculated Property
Δsub 102.00 ± 4.20 kJ/mol NIST
Δvap 57.35 kJ/mol Joback Calculated Property
logPoct/wat 2.173 Crippen Calculated Property
Pc 3055.79 kPa Joback Calculated Property
Tboil 610.83 K Joback Calculated Property
Tc 841.68 K Joback Calculated Property
Tfus 343.80 K Joback Calculated Property
Vc 0.519 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 301.43 J/mol×K 610.83 Joback Calculated Property
ΔsubH 108.50 kJ/mol 325.5 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH2- 2
>C=O (nonring) 1
-CN 1
=CH- (ring) 5

Similar Compounds

1-Butanone, 1-phenyl-. .GAMMA.-chlorobutyrophenone. 1-Butanone, 3-methyl-1-phenyl-. Valerophenone. 1-Butanone, 1,4-diphenyl-. 1-(4-Tolyl)-1-butanone. 1,4-Butanedione, 1,4-diphenyl-. 1-Hexanone, 1-phenyl-. Isocaprophenone. 1-Propanone, 1-phenyl-. Heptanophenone. 1,4-Dibenzoyl-butane. Cyclopropyl phenyl ketone. 1-Butanone, 2-methyl-1-phenyl-. HEXADECANOPHENONE.

Find more compounds similar to «beta»-Cyanopropiophenone.

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