Chemical Properties of m-fluorocinnamic acid (CAS 458-46-8)

m-fluorocinnamic acid

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InChI
InChI=1S/C9H7FO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+
InChI Key
RTSIUKMGSDOSTI-SNAWJCMRSA-N
Formula
C9H7FO2
SMILES
O=C(O)C=Cc1cccc(F)c1
Molecular Weight1
166.15
CAS
458-46-8
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 1.92 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 0.45 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

3,5-Difluorocinnamic acid. 3,4-Difluorocinnamic acid. 4-Fluorocinnamic acid. 2,5-Difluorocinnamic acid. Ammonium cinnamate. 2-Propenoic acid, 3-phenyl-. trans-Cinnamic acid. (Z)-3-Phenyl-2-propenoic acid. 2-Propenoic acid, 3-(2-fluorophenyl)-. Benzene, 1-ethenyl-3-fluoro-. P-methylcinnamic acid. Cinnamic acid, sodium salt. 2-Propenoic acid, 3-phenyl-, methyl ester. 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-. Methyl cis-cinnamate.

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