Chemical Properties of 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C18H19F3O2/c1-12(2)5-10-16(11-13(3)4)23-17(22)14-6-8-15(9-7-14)18(19,20)21/h6-9,13,16H,1,11H2,2-4H3
InChI Key
JQEGRNUHQCTXDX-UHFFFAOYSA-N
Formula
C18H19F3O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1ccc(C(F)(F)F)cc1
Molecular Weight1
324.34
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° 34.13 kJ/mol Joback Calculated Property
logPoct/wat 4.856 Crippen Calculated Property
McVol 240.570 ml/mol McGowan Calculated Property
Inp 1710.00 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 [666.83; 747.12] J/mol×K [718.45; 927.44] Show Hide
Cp,gas 666.83 J/mol×K 718.45 Joback Calculated Property
Cp,gas 682.70 J/mol×K 753.28 Joback Calculated Property
Cp,gas 697.49 J/mol×K 788.11 Joback Calculated Property
Cp,gas 711.27 J/mol×K 822.95 Joback Calculated Property
Cp,gas 724.10 J/mol×K 857.78 Joback Calculated Property
Cp,gas 736.03 J/mol×K 892.61 Joback Calculated Property
Cp,gas 747.12 J/mol×K 927.44 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2,7-dimethyloct-7-en-5-yn-4-yl) ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ethyl ester. 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Ethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Bromobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl isobutyl ester. 4-Nitrobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-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.
These property values are available through the Cheméo API. A free account gives you an access key.