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

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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
ΔfG° -229.36 kJ/mol Joback Calculated Property
ΔfH°gas -598.99 kJ/mol Joback Calculated Property
ΔfusH° 42.10 kJ/mol Joback Calculated Property
ΔvapH° 71.43 kJ/mol Joback Calculated Property
log10WS -6.80 Crippen Calculated Property
logPoct/wat 5.646 Crippen Calculated Property
McVol 278.540 ml/mol McGowan Calculated Property
Pc 1358.63 kPa Joback Calculated Property
Inp 2089.00 NIST
Tboil 791.25 K Joback Calculated Property
Tc 1000.30 K Joback Calculated Property
Tfus 497.02 K Joback Calculated Property
Vc 1.083 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [809.72; 892.06] J/mol×K [791.25; 1000.30] Show Hide
Cp,gas 809.72 J/mol×K 791.25 Joback Calculated Property
Cp,gas 825.80 J/mol×K 826.09 Joback Calculated Property
Cp,gas 840.84 J/mol×K 860.93 Joback Calculated Property
Cp,gas 854.90 J/mol×K 895.77 Joback Calculated Property
Cp,gas 868.08 J/mol×K 930.62 Joback Calculated Property
Cp,gas 880.44 J/mol×K 965.46 Joback Calculated Property
Cp,gas 892.06 J/mol×K 1000.30 Joback 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. Cinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (8«alpha»,9R)-. Hydroquinidine. Benazepril Me. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, etho-oxime-TMS derivative. Cytidine, buto-oxime-TMS derivative. Pumiline A. 2'-Deoxyguanosine, N-trimethylsilyl-, tris(trimethylsilyl) ether. Axillarine. Mucronatinine. 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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