Chemical Properties of p-Chlorocinnamic acid (CAS 1615-02-7)

p-Chlorocinnamic acid

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InChI
InChI=1S/C9H7ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChI Key
GXLIFJYFGMHYDY-ZZXKWVIFSA-N
Formula
C9H7ClO2
SMILES
O=C(O)C=Cc1ccc(Cl)cc1
Molecular Weight1
182.60
CAS
1615-02-7
Other Names
  • 2-Propenoic acid, 3-(4-chlorophenyl)-
  • 3-(p-Chlorophenyl)acrylic acid
  • 4-Chlorocinnamic acid
  • Cinnamic acid, p-chloro-
  • trans-4-Chlorocinnamic acid
Sources

Physical Properties

Property Value Unit Source
Δf -69.77 kJ/mol Joback Calculated Property
Δfgas -167.36 kJ/mol Joback Calculated Property
Δfus 22.80 kJ/mol Joback Calculated Property
Δvap 66.33 kJ/mol Joback Calculated Property
logPoct/wat 2.44 Crippen Calculated Property
Pc 3925.85 kPa Joback Calculated Property
Tboil 624.62 K Joback Calculated Property
Tc 841.31 K Joback Calculated Property
Tfus 365.72 K Joback Calculated Property
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 281.40 J/mol×K 624.62 Joback Calculated Property
η 0.00 Pa×s 624.62 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
=CH- 2
>C=O (nonring) 1

Similar Compounds

2-Propenoic acid, 3-phenyl-. trans-Cinnamic acid. (Z)-3-Phenyl-2-propenoic acid. Ammonium cinnamate. 3-Buten-2-one, 4-(4-chlorophenyl)-. m-Chlorocinnamic acid. P-methylcinnamic acid. Choline iodide, o-(p-chlorocinnamoyl). Methyl cis-cinnamate. 2-Propenoic acid, 3-phenyl-, methyl ester. 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-. Cinnamic acid, sodium salt. 2-Chlorocinnamic acid. (Z)-Ethyl cinnamate. 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-.

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