Chemical Properties of 2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester

2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester

PDF Excel Molecule Calculator
InChI
InChI=1S/C17H19F3O2/c1-4-5-8-13(11-12(2)3)22-16(21)14-9-6-7-10-15(14)17(18,19)20/h6-7,9-10,12-13H,4,11H2,1-3H3
InChI Key
VYVPNNHYVAJNSZ-UHFFFAOYSA-N
Formula
C17H19F3O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
312.33
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
Δf -422.55 kJ/mol Joback Calculated Property
Δfgas -749.29 kJ/mol Joback Calculated Property
Δfus 34.13 kJ/mol Joback Calculated Property
Δvap 63.16 kJ/mol Joback Calculated Property
log10WS -5.83 Crippen Calculated Property
logPoct/wat 4.690 Crippen Calculated Property
McVol 230.780 ml/mol McGowan Calculated Property
Pc 1696.30 kPa Joback Calculated Property
Inp [1695.00; 1695.00]   Show Hide
Inp 1695.00 NIST
Inp 1695.00 NIST
Tboil 699.01 K Joback Calculated Property
Tc 904.33 K Joback Calculated Property
Tfus 472.74 K Joback Calculated Property
Vc 0.896 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [637.00; 717.80] J/mol×K [699.01; 904.33] Show Hide
Cp,gas 637.00 J/mol×K 699.01 Joback Calculated Property
Cp,gas 652.91 J/mol×K 733.23 Joback Calculated Property
Cp,gas 667.77 J/mol×K 767.45 Joback Calculated Property
Cp,gas 681.65 J/mol×K 801.67 Joback Calculated Property
Cp,gas 694.58 J/mol×K 835.89 Joback Calculated Property
Cp,gas 706.62 J/mol×K 870.11 Joback Calculated Property
Cp,gas 717.80 J/mol×K 904.33 Joback Calculated Property

Similar Compounds

2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. o-Toluic acid, 2-methyloct-5-yn-4-yl ester. 4-(Trifluoromethyl)benzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. o-Toluic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Isophthalic acid, di(2-methyloct-5-yn-4-yl) ester. 4-(Trifluoromethyl)benzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. m-Toluic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, ethyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, isobutyl 2-methyloct-5-yn-4-yl ester. Isophthalic acid, 2-methyloct-5-yn-4-yl propyl ester. Isophthalic acid, butyl 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2-methyloct-5-yn-4-yl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, 2-methyloct-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.