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

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

InChI
InChI=1S/C13H11F3O2/c1-3-5-8(4-2)18-13(17)9-6-7-10(14)12(16)11(9)15/h6-8H,4H2,1-2H3
InChI Key
GNXAAQHQJHHCOH-UHFFFAOYSA-N
Formula
C13H11F3O2
SMILES
CC#CC(CC)OC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
256.22
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Physical Properties

Property Value Unit Source
ΔfusH° 35.51 kJ/mol Joback Calculated Property
logPoct/wat 3.063 Crippen Calculated Property
McVol 174.420 ml/mol McGowan Calculated Property
Inp [1522.70; 1522.70]   Show Hide
Inp 1522.70 NIST
Inp 1522.70 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [255.38; 531.10] 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 A5.96210e+01
Coefficient B8.18140e-01
Coefficient C-3.79140e-04
Coefficient D3.24800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 255.38 J/mol×K 273.00 Calculated Property
Cp,gas 303.05 J/mol×K 353.78 Calculated Property
Cp,gas 346.22 J/mol×K 434.56 Calculated Property
Cp,gas 384.99 J/mol×K 515.33 Calculated Property
Cp,gas 419.48 J/mol×K 596.11 Calculated Property
Cp,gas 449.77 J/mol×K 676.89 Calculated Property
Cp,gas 475.98 J/mol×K 757.67 Calculated Property
Cp,gas 498.20 J/mol×K 838.44 Calculated Property
Cp,gas 516.54 J/mol×K 919.22 Calculated Property
Cp,gas 531.10 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluorobenzoic acid, hex-4-yn-3-yl ester. 3-Fluorobenzoic acid, hex-4-yn-3-yl ester. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,6-Difluorobenzoic acid, hex-4-yn-3-yl ester. 4-Fluorobenzoic acid, hex-4-yn-3-yl ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. 2,3,4-Trifluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,3,4-trifluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester. 2,4-Difluorobenzoic acid, 2-pentyl ester. 3-fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,6-Difluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2,4-Difluorobenzoic acid, 3-pentadecyl ester.

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

Sources

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