Chemical Properties of 4-Fluorocinnamic acid (CAS 459-32-5)

4-Fluorocinnamic acid

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InChI
InChI=1S/C9H7FO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12)/b6-3+
InChI Key
ISMMYAZSUSYVQG-ZZXKWVIFSA-N
Formula
C9H7FO2
SMILES
O=C(O)C=Cc1ccc(F)cc1
Molecular Weight1
166.15
CAS
459-32-5
Other Names
  • 2-Propenoic acid, 3-(4-fluorophenyl)-
  • 3-(4-Fluorophenyl)-2-propenoic acid
  • p-Fluorocinnamic acid
Sources

Physical Properties

Property Value Unit Source
Δf -252.65 kJ/mol Joback Calculated Property
Δfgas -347.73 kJ/mol Joback Calculated Property
Δfus 21.69 kJ/mol Joback Calculated Property
Δvap 61.13 kJ/mol Joback Calculated Property
logPoct/wat 1.923 Crippen Calculated Property
Pc 3886.79 kPa Joback Calculated Property
Tboil 586.46 K Joback Calculated Property
Tc 789.56 K Joback Calculated Property
Tfus 336.39 K Joback Calculated Property
Vc 0.455 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 268.26 J/mol×K 586.46 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

(Z)-3-Phenyl-2-propenoic acid. 2-Propenoic acid, 3-phenyl-. Ammonium cinnamate. trans-Cinnamic acid. m-fluorocinnamic acid. 3,4-Difluorocinnamic acid. P-methylcinnamic acid. 3,5-Difluorocinnamic acid. 2-Propenoic acid, 3-(2-fluorophenyl)-. Methyl cis-cinnamate. 2-Propenoic acid, 3-phenyl-, methyl ester. 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-. Cinnamic acid, sodium salt. 3-Methylcinnamic acid. 2-Propenoic acid, 3-phenyl-, ethyl ester, (E)-.

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