Chemical Properties of trans-3-Trifluoromethylcinnamic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

trans-3-Trifluoromethylcinnamic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C21H23F3O2/c1-5-7-16(4)19(12-10-15(2)3)26-20(25)13-11-17-8-6-9-18(14-17)21(22,23)24/h6,8-9,11,13-14,16,19H,2,5,7H2,1,3-4H3/b13-11+
InChI Key
TXIGCAXXHVFAJH-ACCUITESSA-N
Formula
C21H23F3O2
SMILES
C=C(C)C#CC(OC(=O)C=Cc1cccc(C(F)(F)F)c1)C(C)CCC
Molecular Weight1
364.40
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Physical Properties

Property Value Unit Source
ΔfusH° 43.68 kJ/mol Joback Calculated Property
IE 8.88 eV Relay (1.0) Calculated Property
logPoct/wat 5.646 Crippen Calculated Property
McVol 278.540 ml/mol McGowan Calculated Property
Inp 2089.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [394.55; 892.55] 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-1.92680e+01
Coefficient B1.82876e+00
Coefficient C-1.23242e-03
Coefficient D3.15480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 394.55 J/mol×K 273.00 Calculated Property
Cp,gas 487.43 J/mol×K 353.78 Calculated Property
Cp,gas 568.59 J/mol×K 434.56 Calculated Property
Cp,gas 639.04 J/mol×K 515.33 Calculated Property
Cp,gas 699.76 J/mol×K 596.11 Calculated Property
Cp,gas 751.77 J/mol×K 676.89 Calculated Property
Cp,gas 796.06 J/mol×K 757.67 Calculated Property
Cp,gas 833.62 J/mol×K 838.44 Calculated Property
Cp,gas 865.45 J/mol×K 919.22 Calculated Property
Cp,gas 892.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-3-Trifluoromethylcinnamic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. trans-3-Trifluoromethylcinnamic acid, 2-methyloct-5-yn-4-yl ester. trans-(3-Trifluoromethyl)cinnamic acid, 2-adamantyl ester. Hydroquinidine. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Cytidine, etho-oxime-TMS derivative. Benazepril Me. Cytidine, metho-oxime-TMS derivative. Gelsemine. Axillarine. Ni-TETMP complex. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Cytidine, buto-oxime-TMS derivative. guanosine, TMS. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-.

Find more compounds similar to trans-3-Trifluoromethylcinnamic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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