Chemical Properties of 2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C18H19F3O2/c1-5-6-12(4)15(10-7-11(2)3)23-18(22)13-8-9-14(19)17(21)16(13)20/h8-9,12,15H,2,5-6H2,1,3-4H3
InChI Key
CBPQGJKFGCIMQC-UHFFFAOYSA-N
Formula
C18H19F3O2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(F)c(F)c1F)C(C)CCC
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° 40.76 kJ/mol Joback Calculated Property
logPoct/wat 4.645 Crippen Calculated Property
McVol 240.570 ml/mol McGowan Calculated Property
Inp [1815.30; 1815.30]   Show Hide
Inp 1815.30 NIST
Inp 1815.30 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 [663.01; 740.95] J/mol×K [731.64; 933.12] Show Hide
Cp,gas 663.01 J/mol×K 731.64 Joback Calculated Property
Cp,gas 678.21 J/mol×K 765.22 Joback Calculated Property
Cp,gas 692.49 J/mol×K 798.80 Joback Calculated Property
Cp,gas 705.88 J/mol×K 832.38 Joback Calculated Property
Cp,gas 718.41 J/mol×K 865.96 Joback Calculated Property
Cp,gas 730.09 J/mol×K 899.54 Joback Calculated Property
Cp,gas 740.95 J/mol×K 933.12 Joback Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,6-Difluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,3,4-Trifluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. m-anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to 2,3,4-trifluorobenzoic 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.