Chemical Properties of .ALPHA.-chlorocinnamaldehyde (CAS 18365-42-9)

.ALPHA.-chlorocinnamaldehyde

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InChI
InChI=1S/C9H7ClO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H/b9-6-
InChI Key
SARRRAKOHPKFBW-TWGQIWQCSA-N
Formula
C9H7ClO
SMILES
O=CC(Cl)=Cc1ccccc1
Molecular Weight1
166.60
CAS
18365-42-9
Other Names
  • 2-Propenal, 2-chloro-3-phenyl-
  • Cinnamaldehyde, «alpha»-chloro-
Sources

Physical Properties

Property Value Unit Source
Δf 97.53 kJ/mol Joback Calculated Property
Δfgas 13.55 kJ/mol Joback Calculated Property
Δfus 18.48 kJ/mol Joback Calculated Property
Δvap 49.05 kJ/mol Joback Calculated Property
logPoct/wat 2.47 Crippen Calculated Property
Pc 3642.13 kPa Joback Calculated Property
Tboil 522.13 K Joback Calculated Property
Tc 755.23 K Joback Calculated Property
Tfus 270.49 K Joback Calculated Property
Vc 0.48 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 241.70 J/mol×K 522.13 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 5
=C< (ring) 1
=C< 1
O=CH- (aldehyde) 1
=CH- 1

Similar Compounds

3-Chloro-4-phenyl-3-butene-2-one. Cinnamaldehyde, (E)-. (Z)-3-Phenylacrylaldehyde. 2-Propenal, 3-phenyl-. 2-Propenoyl chloride, 3-phenyl-. 4-Methylcinnamaldehyde. 3-Buten-2-one, 4-phenyl-. 3-Buten-2-one, 4-phenyl-, (E)-. (Z)-4-Phenylbut-3-en-2-one. 2-Propenamide, 3-phenyl-. 2-Propenal, 2-methyl-3-phenyl-. Benzene, 1-propenyl-. Benzene, (2-chloroethenyl)-, (Z)-. trans-«beta»-Methylstyrene. (Z)-1-Phenylpropene.

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