Chemical Properties of 2-Propenal, 3-phenyl- (CAS 104-55-2)

2-Propenal, 3-phenyl-

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InChI
InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
InChI Key
KJPRLNWUNMBNBZ-UHFFFAOYSA-N
Formula
C9H8O
SMILES
O=CC=Cc1ccccc1
Molecular Weight1
132.16
CAS
104-55-2
Other Names
  • 2-Propenaldehyde, 3-phenyl-
  • 3-Fenylpropenal
  • 3-Phenyl-2-propen-1-al
  • 3-Phenyl-2-propenal
  • 3-Phenyl-2-propenal (cinnamaldehyde)
  • 3-Phenyl-2-propenaldehyde
  • 3-Phenylacrolein
  • 3-Phenylacrylaldehyde
  • 3-Phenylpropenal
  • Abion CA
  • Acrolein, 3-phenyl-
  • Aldehyd skoricovy
  • Benzylideneacetaldehyde
  • Cassia aldehyde
  • Cinnamal
  • Cinnamaldehyde
  • Cinnamic aldehyde
  • Cinnamylaldehyde
  • NCI-C56111
  • NSC 16935
  • Phenylacrolein
  • Propenaldehyde, 3-phenyl-
  • Zimtaldehyde
  • cinnamaldehyde (3-phenyl-2-propenal)
Sources

Physical Properties

Property Value Unit Source
EA 0.82 ± 0.04 eV NIST
Δf 118.01 kJ/mol Joback Calculated Property
Δfgas 39.08 kJ/mol Joback Calculated Property
Δfus 15.60 kJ/mol Joback Calculated Property
Δvap 62.40 kJ/mol NIST
logPoct/wat 1.90 Crippen Calculated Property
Pc 3786.98 kPa Joback Calculated Property
Tboil 484.82 K Joback Calculated Property
Tc 708.10 K Joback Calculated Property
Tfus 265.70 ± 0.70 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 217.59 J/mol×K 484.82 Joback Calculated Property
η 0.00 Pa×s 484.82 Joback Calculated Property
ΔvapH 72.70 kJ/mol 363.0 NIST
ΔvapH 58.20 kJ/mol 434.0 NIST
ΔvapH 51.70 kJ/mol 445.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
O=CH- (aldehyde) 1
=CH- 2
=CH- (ring) 5

Similar Compounds

Cinnamaldehyde, (E)-. (Z)-3-Phenylacrylaldehyde. 4-Methylcinnamaldehyde. trans-«beta»-Methylstyrene. Benzene, 1-propenyl-. (Z)-1-Phenylpropene. 3-Buten-2-one, 4-phenyl-. 2-Propenamide, 3-phenyl-. 3-Buten-2-one, 4-phenyl-, (E)-. (Z)-4-Phenylbut-3-en-2-one. 2-Propenal, 2-methyl-3-phenyl-. (Z)-3-Phenyl-2-propenoic acid. Ammonium cinnamate. 2-Propenoic acid, 3-phenyl-. trans-Cinnamic acid.

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