Chemical Properties of 3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester

3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester

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InChI
InChI=1S/C9H6F4O2/c1-15-8(14)5-2-3-6(7(10)4-5)9(11,12)13/h2-4H,1H3
InChI Key
NLARJSCTWHCNMQ-UHFFFAOYSA-N
Formula
C9H6F4O2
SMILES
COC(=O)c1ccc(C(F)(F)F)c(F)c1
Molecular Weight1
222.14
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Physical Properties

Property Value Unit Source
Δf -892.27 kJ/mol Joback Calculated Property
Δfgas -1053.49 kJ/mol Joback Calculated Property
Δfus 20.02 kJ/mol Joback Calculated Property
Δvap 43.82 kJ/mol Joback Calculated Property
log10WS -3.15 Crippen Calculated Property
logPoct/wat 2.631 Crippen Calculated Property
McVol 128.430 ml/mol McGowan Calculated Property
Pc 2781.78 kPa Joback Calculated Property
Inp 1101.00 NIST
Tboil 512.10 K Joback Calculated Property
Tc 701.72 K Joback Calculated Property
Tfus 319.59 K Joback Calculated Property
Vc 0.516 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [292.78; 346.86] J/mol×K [512.10; 701.72] Show Hide
Cp,gas 292.78 J/mol×K 512.10 Joback Calculated Property
Cp,gas 303.25 J/mol×K 543.70 Joback Calculated Property
Cp,gas 313.11 J/mol×K 575.31 Joback Calculated Property
Cp,gas 322.38 J/mol×K 606.91 Joback Calculated Property
Cp,gas 331.08 J/mol×K 638.51 Joback Calculated Property
Cp,gas 339.24 J/mol×K 670.11 Joback Calculated Property
Cp,gas 346.86 J/mol×K 701.72 Joback Calculated Property

Similar Compounds

3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-chloroethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, isopropyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-methoxyethyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, neopentyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2-ethoxyethyl ester. 2-Fluoro-4-(trifluoromethyl)benzoic acid. 3-Fluoro-4-trifluoromethylbenzoic acid, phenyl ester. 2-Fluoro-3-trifluoromethylbenzoic acid, methyl ester. 3-Fluorobenzoic acid, methyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-methoxyphenyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester. 3-Fluoro-4-trifluoromethylbenzoic acid, 4-cyanophenyl ester. Methyl-4-trifluoromethylbenzoate. 3-Fluoro-4-trifluoromethylbenzoic acid, 3-methylbutyl ester.

Find more compounds similar to 3-Fluoro-4-trifluoromethylbenzoic acid, methyl ester.

Sources

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