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

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

InChI
InChI=1S/C19H21F3O2/c1-5-7-14(4)17(11-10-13(2)3)24-18(23)15-8-6-9-16(12-15)19(20,21)22/h6,8-9,12,14,17H,2,5,7H2,1,3-4H3
InChI Key
WSVVJCVDOCKLNB-UHFFFAOYSA-N
Formula
C19H21F3O2
SMILES
C=C(C)C#CC(OC(=O)c1cccc(C(F)(F)F)c1)C(C)CCC
Molecular Weight1
338.36
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° 38.30 kJ/mol Joback Calculated Property
logPoct/wat 5.247 Crippen Calculated Property
McVol 254.660 ml/mol McGowan Calculated Property
Inp [1765.00; 1765.00]   Show Hide
Inp 1765.00 NIST
Inp 1765.00 NIST
Tboil 572.81 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [716.10; 798.72] J/mol×K [723.46; 928.09] Show Hide
Cp,gas 716.10 J/mol×K 723.46 Joback Calculated Property
Cp,gas 732.50 J/mol×K 757.56 Joback Calculated Property
Cp,gas 747.76 J/mol×K 791.67 Joback Calculated Property
Cp,gas 761.96 J/mol×K 825.77 Joback Calculated Property
Cp,gas 775.14 J/mol×K 859.88 Joback Calculated Property
Cp,gas 787.38 J/mol×K 893.98 Joback Calculated Property
Cp,gas 798.72 J/mol×K 928.09 Joback Calculated Property

Similar Compounds

4-(Ttifluoromethyl)benzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ethyl ester. m-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester. p-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. o-Toluic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Ethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to 3-Trifluoromethylbenzoic 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.
These property values are available through the Cheméo API. A free account gives you an access key.