Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 6-chlorohexyl ester

2,5-Di(trifluoromethyl)benzoic acid, 6-chlorohexyl ester

InChI
InChI=1S/C15H15ClF6O2/c16-7-3-1-2-4-8-24-13(23)11-9-10(14(17,18)19)5-6-12(11)15(20,21)22/h5-6,9H,1-4,7-8H2
InChI Key
ORIJBJXIHCZILS-UHFFFAOYSA-N
Formula
C15H15ClF6O2
SMILES
O=C(OCCCCCCCl)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
376.72
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Physical Properties

Property Value Unit Source
Δfus 38.50 kJ/mol Joback Calculated Property
logPoct/wat 5.680 Crippen Calculated Property
McVol 228.750 ml/mol McGowan Calculated Property
Inp 1762.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [628.01; 693.83] J/mol×K [682.12; 860.85] Show Hide
Cp,gas 628.01 J/mol×K 682.12 Joback Calculated Property
Cp,gas 640.86 J/mol×K 711.91 Joback Calculated Property
Cp,gas 652.90 J/mol×K 741.70 Joback Calculated Property
Cp,gas 664.18 J/mol×K 771.49 Joback Calculated Property
Cp,gas 674.73 J/mol×K 801.28 Joback Calculated Property
Cp,gas 684.60 J/mol×K 831.06 Joback Calculated Property
Cp,gas 693.83 J/mol×K 860.85 Joback Calculated Property

Similar Compounds

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, heptadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, eicosyl ester. 2,5-Di(trifluoromethyl)benzoic acid, nonadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, undecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, hexadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, heptyl ester. 2,5-Di(trifluoromethyl)benzoic acid, tridecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, teradecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, dodecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, octyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 6-chlorohexyl ester.

Sources

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