Chemical Properties of 2,5-Di(trifluoromethyl)benzoic acid, 3-dodecyl ester

2,5-Di(trifluoromethyl)benzoic acid, 3-dodecyl ester

InChI
InChI=1S/C21H28F6O2/c1-3-5-6-7-8-9-10-11-16(4-2)29-19(28)17-14-15(20(22,23)24)12-13-18(17)21(25,26)27/h12-14,16H,3-11H2,1-2H3
InChI Key
ALSTVXMACIWOEQ-UHFFFAOYSA-N
Formula
C21H28F6O2
SMILES
CCCCCCCCCC(CC)OC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F
Molecular Weight1
426.44
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Physical Properties

Property Value Unit Source
ΔfusH° 47.91 kJ/mol Joback Calculated Property
logPoct/wat 7.800 Crippen Calculated Property
McVol 301.050 ml/mol McGowan Calculated Property
Inp [1937.00; 1937.00]   Show Hide
Inp 1937.00 NIST
Inp 1937.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [461.11; 1032.14] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.01810e+01
Coefficient B2.07444e+00
Coefficient C-1.36632e-03
Coefficient D3.34200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 461.11 J/mol×K 273.00 Calculated Property
Cp,gas 567.50 J/mol×K 353.78 Calculated Property
Cp,gas 660.69 J/mol×K 434.56 Calculated Property
Cp,gas 741.73 J/mol×K 515.33 Calculated Property
Cp,gas 811.69 J/mol×K 596.11 Calculated Property
Cp,gas 871.61 J/mol×K 676.89 Calculated Property
Cp,gas 922.56 J/mol×K 757.67 Calculated Property
Cp,gas 965.60 J/mol×K 838.44 Calculated Property
Cp,gas 1001.77 J/mol×K 919.22 Calculated Property
Cp,gas 1032.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,5-Di(trifluoromethyl)benzoic acid, 3-tridecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-hexadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-tetradecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 5-tetradecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-tetradecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-tridecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 7-tridecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-hexadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 6-dodecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 5-pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 6-pentadecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 4-dodecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 5-dodecyl ester.

Find more compounds similar to 2,5-Di(trifluoromethyl)benzoic acid, 3-dodecyl ester.

Sources

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