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

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

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
320.62
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Physical Properties

Property Value Unit Source
Δfus 29.73 kJ/mol Joback Calculated Property
logPoct/wat 4.120 Crippen Calculated Property
McVol 172.390 ml/mol McGowan Calculated Property
Inp 1306.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [424.81; 480.93] J/mol×K [572.73; 753.71] Show Hide
Cp,gas 424.81 J/mol×K 572.73 Joback Calculated Property
Cp,gas 436.01 J/mol×K 602.89 Joback Calculated Property
Cp,gas 446.42 J/mol×K 633.06 Joback Calculated Property
Cp,gas 456.08 J/mol×K 663.22 Joback Calculated Property
Cp,gas 465.03 J/mol×K 693.39 Joback Calculated Property
Cp,gas 473.30 J/mol×K 723.55 Joback Calculated Property
Cp,gas 480.93 J/mol×K 753.71 Joback Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-methoxyethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, propyl ester. 2,5-Di(trifluoromethyl)benzoic acid, isopropyl 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, isobutyl ester. 2,5-Di(trifluoromethyl)benzoic acid, butyl ester. 2-Trifluoromethylbenzoic acid, ethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentyl ester. 2-Trifluoromethylbenzoic acid, 2,2,2-trichloroethyl ester. 2,5-Di(trifluoromethyl)benzoic acid, hexyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonyl ester. 2,5-Di(trifluoromethyl)benzoic acid, decyl ester. 2,5-Di(trifluoromethyl)benzoic acid, undecyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 2-chloroethyl ester.

Sources

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