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

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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
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Physical Properties

Property Value Unit Source
Δf -334.84 kJ/mol Joback Calculated Property
Δfgas -654.29 kJ/mol Joback Calculated Property
Δfus 34.13 kJ/mol Joback Calculated Property
Δvap 64.80 kJ/mol Joback Calculated Property
log10WS -6.10 Crippen Calculated Property
logPoct/wat 4.856 Crippen Calculated Property
McVol 240.570 ml/mol McGowan Calculated Property
Pc 1629.85 kPa Joback Calculated Property
Inp 1710.00 NIST
Tboil 718.45 K Joback Calculated Property
Tc 927.44 K Joback Calculated Property
Tfus 468.29 K Joback Calculated Property
Vc 0.934 m3/kmol Joback Calculated Property

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

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