Chemical Properties of trans-(3-Trifluoromethyl)cinnamic acid, 1-adamantylmethyl ester

trans-(3-Trifluoromethyl)cinnamic acid, 1-adamantylmethyl ester

InChI
InChI=1S/C21H23F3O2/c22-21(23,24)18-3-1-2-14(9-18)4-5-19(25)26-13-20-10-15-6-16(11-20)8-17(7-15)12-20/h1-5,9,15-17H,6-8,10-13H2/b5-4+
InChI Key
ANIWTKAOBMFSNQ-SNAWJCMRSA-N
Formula
C21H23F3O2
SMILES
O=C(C=Cc1cccc(C(F)(F)F)c1)OCC12CC3CC(CC(C3)C1)C2
Molecular Weight1
364.40
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Physical Properties

Property Value Unit Source
ΔfusH° 37.27 kJ/mol Joback Calculated Property
IE 9.10 eV Relay (1.0) Calculated Property
logPoct/wat 5.478 Crippen Calculated Property
McVol 258.860 ml/mol McGowan Calculated Property
Inp [2393.60; 2393.60]   Show Hide
Inp 2393.60 NIST
Inp 2393.60 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [344.85; 936.36] 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-2.30679e+02
Coefficient B2.69530e+00
Coefficient C-2.38436e-03
Coefficient D8.56100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 344.85 J/mol×K 273.00 Calculated Property
Cp,gas 462.34 J/mol×K 353.78 Calculated Property
Cp,gas 560.57 J/mol×K 434.56 Calculated Property
Cp,gas 642.25 J/mol×K 515.33 Calculated Property
Cp,gas 710.09 J/mol×K 596.11 Calculated Property
Cp,gas 766.78 J/mol×K 676.89 Calculated Property
Cp,gas 815.05 J/mol×K 757.67 Calculated Property
Cp,gas 857.60 J/mol×K 838.44 Calculated Property
Cp,gas 897.13 J/mol×K 919.22 Calculated Property
Cp,gas 936.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-(3-trifluoromethyl)cinnamic acid, 2-(1-adamantyl)ethyl ester. trans-(3-Trifluoromethyl)cinnamic acid, 2-adamantyl ester. trans-3-(Trifluoromethyl)cinnamic acid, octadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, pentadecyl ester. trans-(3-Trifluoromethyl)cinnamic acid, nonyl ester. trans-3-(Trifluoromethyl)cinnamic acid, heptyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tridecyl ester. trans-(3-Trifluoromethyl)cinnamin acid, undecyl ester. trans-(3-Trifluoromethyl)cinnamin acid, heptadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, octyl ester. trans-3-(Trifluoromethyl)cinnamic acid, hexadecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, tetradecyl ester. trans-3-(Trifluoromethyl)cinnamic acid, decyl ester. trans-3-(Trifluoromethyl)cinnamic acid, undec-10-enyl ester. Trans-3-(trifluoromethyl)cinnamic acid, hexyl ester.

Find more compounds similar to trans-(3-Trifluoromethyl)cinnamic acid, 1-adamantylmethyl ester.

Sources

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