Chemical Properties of 4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester

4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl ester

InChI
InChI=1S/C13H9F3O2/c1-2-3-4-9-18-12(17)10-5-7-11(8-6-10)13(14,15)16/h1,3-8H,9H2
InChI Key
UJVYDZIZKFKVHB-UHFFFAOYSA-N
Formula
C13H9F3O2
SMILES
C#CC=CCOC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
254.21
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
ΔfusH° 32.45 kJ/mol Joback Calculated Property
logPoct/wat 3.052 Crippen Calculated Property
McVol 170.120 ml/mol McGowan Calculated Property
Inp 1454.00 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, Ionization energy, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [405.65; 469.61] J/mol×K [575.78; 781.91] Show Hide
Cp,gas 405.65 J/mol×K 575.78 Joback Calculated Property
Cp,gas 418.54 J/mol×K 610.13 Joback Calculated Property
Cp,gas 430.47 J/mol×K 644.49 Joback Calculated Property
Cp,gas 441.47 J/mol×K 678.84 Joback Calculated Property
Cp,gas 451.63 J/mol×K 713.20 Joback Calculated Property
Cp,gas 460.99 J/mol×K 747.55 Joback Calculated Property
Cp,gas 469.61 J/mol×K 781.91 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester. 4-Cyanobenzoic acid, pent-2-en-4-ynyl ester. 4-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 4-(Trifluoromethyl)benzoic acid, 3-chloroprop-2-enyl ester. 4-Chlorobenzoic acid, pent-2-en-4-ynyl ester. 2-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester. 4-Bromobenzoic acid, pent-2-en-4-ynyl ester. 4-(Trifluoromethyl)benzoic acid, 3-methylbut-2-enyl ester. Terephthalic acid, di(but-2-enyl) ester. 3-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 4-Nitrobenzoic acid, pent-2-en-4-ynyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. (E)-2-Butenyl benzoate. 3-Bromobenzoic acid, pent-2-en-4-ynyl ester. 1-Naphthoic acid, pent-2-en-4-ynyl ester.

Find more compounds similar to 4-(Trifluoromethyl)benzoic acid, pent-2-en-4-ynyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.