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

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
ΔfusH° 35.71 kJ/mol Joback Calculated Property
logPoct/wat 4.856 Crippen Calculated Property
McVol 240.570 ml/mol McGowan Calculated Property
Inp 1710.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [344.91; 768.36] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.35900e+00
Coefficient B1.52376e+00
Coefficient C-9.85420e-04
Coefficient D2.32380e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 344.91 J/mol×K 273.00 Calculated Property
Cp,gas 423.67 J/mol×K 353.78 Calculated Property
Cp,gas 492.78 J/mol×K 434.56 Calculated Property
Cp,gas 552.99 J/mol×K 515.33 Calculated Property
Cp,gas 605.03 J/mol×K 596.11 Calculated Property
Cp,gas 649.63 J/mol×K 676.89 Calculated Property
Cp,gas 687.53 J/mol×K 757.67 Calculated Property
Cp,gas 719.46 J/mol×K 838.44 Calculated Property
Cp,gas 746.16 J/mol×K 919.22 Calculated Property
Cp,gas 768.36 J/mol×K 1000.00 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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