Chemical Properties of 2-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester

2-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester

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InChI
InChI=1S/C14H13F3O2/c1-3-7-10(4-2)19-13(18)11-8-5-6-9-12(11)14(15,16)17/h5-6,8-10H,4H2,1-2H3
InChI Key
VTPKBXHSYNVGMH-UHFFFAOYSA-N
Formula
C14H13F3O2
SMILES
CC#CC(CC)OC(=O)c1ccccc1C(F)(F)F
Molecular Weight1
270.25
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Physical Properties

Property Value Unit Source
Δf -445.37 kJ/mol Joback Calculated Property
Δfgas -682.09 kJ/mol Joback Calculated Property
Δfus 29.88 kJ/mol Joback Calculated Property
Δvap 56.87 kJ/mol Joback Calculated Property
log10WS -4.82 Crippen Calculated Property
logPoct/wat 3.664 Crippen Calculated Property
McVol 188.510 ml/mol McGowan Calculated Property
Pc 2167.36 kPa Joback Calculated Property
Inp [1516.00; 1516.00]   Show Hide
Inp 1516.00 NIST
Inp 1516.00 NIST
Tboil 630.81 K Joback Calculated Property
Tc 841.27 K Joback Calculated Property
Tfus 453.93 K Joback Calculated Property
Vc 0.735 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [480.30; 553.01] J/mol×K [630.81; 841.27] Show Hide
Cp,gas 480.30 J/mol×K 630.81 Joback Calculated Property
Cp,gas 494.66 J/mol×K 665.89 Joback Calculated Property
Cp,gas 508.06 J/mol×K 700.96 Joback Calculated Property
Cp,gas 520.56 J/mol×K 736.04 Joback Calculated Property
Cp,gas 532.19 J/mol×K 771.12 Joback Calculated Property
Cp,gas 542.99 J/mol×K 806.20 Joback Calculated Property
Cp,gas 553.01 J/mol×K 841.27 Joback Calculated Property

Similar Compounds

3-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester. 2-Trifluoromethylbenzoic acid, 2-methyloct-5-yn-4-yl ester. o-Toluic acid, hex-4-yn-3-yl ester. 4-(Trifluoromethyl)benzoic acid, hex-4-yn-3-yl ester. 2-Trifluoromethylbenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Trifluoromethylbenzoic acid, 3-methylbut-2-yl ester. 2-Trifluoromethylbenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(hex-4-yn-3-yl) ester. Isophthalic acid, hex-4-yn-3-yl isobutyl ester. Isophthalic acid, ethyl hex-4-yn-3-yl ester. 2,5-Di(trifluoromethyl)benzoic acid, 2-pentyl ester. m-Toluic acid, hex-4-yn-3-yl ester. Isophthalic acid, hex-4-yn-3-yl propyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-dodecyl ester. 2,5-Di(trifluoromethyl)benzoic acid, 3-tetradecyl ester.

Find more compounds similar to 2-Trifluoromethylbenzoic acid, hex-4-yn-3-yl ester.

Sources

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