Chemical Properties of 3-(Trifluoromethoxy)cinnamic acid (CAS 168833-80-5)

3-(Trifluoromethoxy)cinnamic acid

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InChI
InChI=1S/C10H7F3O3/c11-10(12,13)16-8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChI Key
CLKZZEYGXRWYNI-SNAWJCMRSA-N
Formula
C10H7F3O3
SMILES
O=C(O)C=Cc1cccc(OC(F)(F)F)c1
Molecular Weight1
232.16
CAS
168833-80-5
Sources

Physical Properties

Property Value Unit Source
Δf -736.01 kJ/mol Joback Calculated Property
Δfgas -901.56 kJ/mol Joback Calculated Property
Δfus 24.21 kJ/mol Joback Calculated Property
Δvap 62.84 kJ/mol Joback Calculated Property
logPoct/wat 2.68 Crippen Calculated Property
Pc 3127.99 kPa Joback Calculated Property
Tboil 627.07 K Joback Calculated Property
Tc 819.11 K Joback Calculated Property
Tfus 373.49 K Joback Calculated Property
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 356.73 J/mol×K 627.07 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 3
=CH- (ring) 4
-OH (alcohol) 1
=C< (ring) 2
>C< 1
=CH- 2
>C=O (nonring) 1

Similar Compounds

trans-m-methoxycinnamic acid. 3,5-Dimethoxycinnamic acid. 3-Methoxycinnamaldehyde. Cinnamic acid, m-methoxy-, trimethylsilyl ester. trans-Ferulic acid. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-. 3-Acetoxycinnamic acid. 3,4-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, (E)-. (Z)-3,4-Dimethoxycinnamic acid. 2-Propenoic acid, 3-(3-hydroxyphenyl)-. 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-. 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, methyl ester. 2,5-Dimethoxycinnamic acid. 3,5-Dimethoxycinnamic acid, trimethylsilyl ester.

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