Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester

2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester

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InChI
InChI=1S/C11H7ClF6O2/c12-3-4-20-9(19)7-5-6(10(13,14)15)1-2-8(7)11(16,17)18/h1-2,5H,3-4H2
InChI Key
NNBVMAMVBRTAKV-UHFFFAOYSA-N
Formula
C11H7ClF6O2
SMILES
O=C(OCCCl)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
320.61
Sources

Physical Properties

Property Value Unit Source
Δf -1274.14 kJ/mol Joback Calculated Property
Δfgas -1511.48 kJ/mol Joback Calculated Property
Δfus 28.15 kJ/mol Joback Calculated Property
Δvap 49.73 kJ/mol Joback Calculated Property
logPoct/wat 4.12 Crippen Calculated Property
Pc 2073.65 kPa Joback Calculated Property
Tboil 590.60 K Joback Calculated Property
Tc 774.02 K Joback Calculated Property
Tfus 375.65 K Joback Calculated Property
Vc 0.70 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 428.35 J/mol×K 590.6 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 6
=CH- (ring) 3
=C< (ring) 3
-CH2- 2
-Cl 1
>C< 2
>C=O (nonring) 1

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, isopropyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-ethoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-(dimethylamino)ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonyl ester. 2,5-Di(trifluoromethyl)benzoic acid, eicosyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, decyl ester. 2,5-Di(trifluoromethyl)benzoic acid, undecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 6-chlorohexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-ethylhexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, cyclohexylmethyl ester.

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