Chemical Properties of 2-Iodocinnamic acid (CAS 1643-34-1)

2-Iodocinnamic acid

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InChI
InChI=1S/C9H7IO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)
InChI Key
SBCFNNJYIXFMFS-UHFFFAOYSA-N
Formula
C9H7IO2
SMILES
O=C(O)C=Cc1ccccc1I
Molecular Weight1
274.06
CAS
1643-34-1
Sources

Physical Properties

Property Value Unit Source
Δcsolid -4081.00 kJ/mol NIST
Δf 0.28 kJ/mol Joback Calculated Property
Δfgas -74.75 kJ/mol Joback Calculated Property
Δfsolid -292.30 kJ/mol NIST
Δfus 23.01 kJ/mol Joback Calculated Property
Δvap 71.32 kJ/mol Joback Calculated Property
logPoct/wat 2.39 Crippen Calculated Property
Pc 4000.70 kPa Joback Calculated Property
Tboil 680.33 K Joback Calculated Property
Tc 918.86 K Joback Calculated Property
Tfus 393.86 K Joback Calculated Property
Vc 0.52 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 296.82 J/mol×K 680.33 Joback Calculated Property
η 0.00 Pa×s 680.33 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

3-Buten-2-one, 4-(2-iodophenyl)-. trans-Cinnamic acid. (Z)-3-Phenyl-2-propenoic acid. Ammonium cinnamate. 2-Propenoic acid, 3-phenyl-. P-methylcinnamic acid. Cinnamic acid, sodium salt. Methyl cis-cinnamate. 2-Propenoic acid, 3-phenyl-, methyl ester, (E)-. 2-Propenoic acid, 3-phenyl-, methyl ester. p-Chlorocinnamic acid. p-Coumaric acid, trans. 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (Z)-. p-Coumaric acid. (Z)-Ethyl cinnamate.

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