Chemical Properties of Benzaldehyde, 2-(trifluoromethyl)- (CAS 447-61-0)

Benzaldehyde, 2-(trifluoromethyl)-

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InChI
InChI=1S/C8H5F3O/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-5H
InChI Key
ZDVRPKUWYQVVDX-UHFFFAOYSA-N
Formula
C8H5F3O
SMILES
O=Cc1ccccc1C(F)(F)F
Molecular Weight1
174.12
CAS
447-61-0
Other Names
  • 2-(Trifluoromethyl)benzaldehyde
  • o-(Trifluoromethyl)benzaldehyde
  • o-Tolualdehyde, «alpha»,«alpha»,«alpha»-trifluoro-
  • «alpha»,«alpha»,«alpha»-Trifluoro-o-tolualdehyde
Sources

Physical Properties

Property Value Unit Source
Δf -561.85 kJ/mol Joback Calculated Property
Δfgas -666.05 kJ/mol Joback Calculated Property
Δfus 14.24 kJ/mol Joback Calculated Property
Δvap 39.31 kJ/mol Joback Calculated Property
logPoct/wat 2.52 Crippen Calculated Property
Pc 3411.87 kPa Joback Calculated Property
Tboil 343.50 ± 0.50 K NIST
Tc 654.26 K Joback Calculated Property
Tfus 265.05 K Joback Calculated Property
Vc 0.44 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 222.36 J/mol×K 457.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.alpha.,.alpha.,.alpha.-Trifluoro-o-toluic acid. o-(trifluoromethyl)benzamide. 4-Fluoro-2-(trifluoromethyl)benzaldehyde. 2-(Trifluoromethyl)benzoyl chloride. 2'-(Trifluoromethyl)acetophenone. Benzene, 1,2-bis(trifluoromethyl)-. 2-Fluoro-6-(trifluoromethyl)benzaldehyde. 2,6-Bis(trifluoromethyl)benzoic acid. 2-(Trifluoromethyl)benzyl alcohol. 2-Trifluoromethylbenzyl bromide. Alpha,alpha,alpha-trifluoro-o-tolunitrile. 2-(Trifluoromethyl)propiophenone. 2,4-Di(trifluoromethyl)benzoic acid. 2-Trifluoromethylbenzoic acid, ethyl ester. p-CF3C6H4CHO.

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