Chemical Properties of 2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C18H19F3O2/c1-5-6-12(4)15(10-7-11(2)3)23-18(22)13-8-9-14(19)17(21)16(13)20/h8-9,12,15H,2,5-6H2,1,3-4H3
InChI Key
CBPQGJKFGCIMQC-UHFFFAOYSA-N
Formula
C18H19F3O2
SMILES
C=C(C)C#CC(OC(=O)c1ccc(F)c(F)c1F)C(C)CCC
Molecular Weight1
324.34
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Physical Properties

Property Value Unit Source
ΔfusH° 42.34 kJ/mol Joback Calculated Property
logPoct/wat 4.645 Crippen Calculated Property
McVol 240.570 ml/mol McGowan Calculated Property
Inp [1815.30; 1815.30]   Show Hide
Inp 1815.30 NIST
Inp 1815.30 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [351.47; 760.81] 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 A5.07120e+01
Coefficient B1.27896e+00
Coefficient C-6.79540e-04
Coefficient D1.10680e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.47 J/mol×K 273.00 Calculated Property
Cp,gas 423.03 J/mol×K 353.78 Calculated Property
Cp,gas 487.25 J/mol×K 434.56 Calculated Property
Cp,gas 544.49 J/mol×K 515.33 Calculated Property
Cp,gas 595.09 J/mol×K 596.11 Calculated Property
Cp,gas 639.40 J/mol×K 676.89 Calculated Property
Cp,gas 677.78 J/mol×K 757.67 Calculated Property
Cp,gas 710.58 J/mol×K 838.44 Calculated Property
Cp,gas 738.14 J/mol×K 919.22 Calculated Property
Cp,gas 760.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,6-Difluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,3,4-Trifluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. m-anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. p-Anisic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Find more compounds similar to 2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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