Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, 8-chlorooctyl ester

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InChI
InChI=1S/C16H19ClF4O2/c17-9-5-3-1-2-4-6-10-23-15(22)12-7-8-13(14(18)11-12)16(19,20)21/h7-8,11H,1-6,9-10H2
InChI Key
PZBQIEYSGXZFQD-UHFFFAOYSA-N
Formula
C16H19ClF4O2
SMILES
O=C(OCCCCCCCCCl)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
354.77
Sources

Physical Properties

Property Value Unit Source
Δf -845.26 kJ/mol Joback Calculated Property
Δfgas -1213.71 kJ/mol Joback Calculated Property
Δfus 42.35 kJ/mol Joback Calculated Property
Δvap 63.79 kJ/mol Joback Calculated Property
logPoct/wat 5.58 Crippen Calculated Property
Pc 1473.62 kPa Joback Calculated Property
Tboil 709.69 K Joback Calculated Property
Tc 892.60 K Joback Calculated Property
Tfus 428.40 K Joback Calculated Property
Vc 0.96 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 662.91 J/mol×K 709.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-Cl 1
=CH- (ring) 3
=C< (ring) 3
-CH2- 8
-F 4
>C< 1
>C=O (nonring) 1

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 6-chlorohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylpentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethylhexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-pentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, cyclohexyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxy-2-methylbutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl-2 ester. 3-Fluoro-4-trifluoromethylbenzoic acid, isopropyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-chloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethoxyethyl ester.

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