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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.6245 Relay (1.0) Calculated Property
ΔfG° -229.36 kJ/mol Joback Calculated Property
ΔfH°gas -733.07 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 42.10 kJ/mol Joback Calculated Property
ΔvapH° 88.75 kJ/mol Relay (1.0) Calculated Property
IE 8.88 eV Relay (1.0) Calculated Property
log10WS -6.29 Relay (1.0) 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 600.56 K Relay (1.0) Calculated Property
Tc 800.13 K Relay (1.0) Calculated Property
Tfus 328.45 K Relay (1.0) Calculated Property
Vc 0.947 m3/kmol Relay (1.0) 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. Cytidine, etho-oxime-TMS derivative. guanosine, TMS. Benazepril Me. 9H-Purin-2-amine, N-(trimethylsilyl)-6-[(trimethylsilyl)oxy]-9-[2,3,5-tris-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-. Cytidine, metho-oxime-TMS derivative. Moexipril Me. 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»)]-. Adenosine, 5'-S-methyl-5'-thio-N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-. Cytidine, buto-oxime-TMS derivative.

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.