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

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

InChI
InChI=1S/C11H7F3O2/c1-3-6(2)16-11(15)7-4-5-8(12)10(14)9(7)13/h1,4-6H,2H3
InChI Key
FMXYCPDFVXHTHE-UHFFFAOYSA-N
Formula
C11H7F3O2
SMILES
C#CC(C)OC(=O)c1ccc(F)c(F)c1F
Molecular Weight1
228.17
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Physical Properties

Property Value Unit Source
ΔfusH° 30.18 kJ/mol Joback Calculated Property
logPoct/wat 2.282 Crippen Calculated Property
McVol 146.240 ml/mol McGowan Calculated Property
Inp [1285.50; 1285.50]   Show Hide
Inp 1285.50 NIST
Inp 1285.50 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [218.66; 431.36] 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 A5.76600e+01
Coefficient B6.84020e-01
Coefficient C-3.58410e-04
Coefficient D4.80900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 218.66 J/mol×K 273.00 Calculated Property
Cp,gas 256.92 J/mol×K 353.78 Calculated Property
Cp,gas 291.17 J/mol×K 434.56 Calculated Property
Cp,gas 321.56 J/mol×K 515.33 Calculated Property
Cp,gas 348.24 J/mol×K 596.11 Calculated Property
Cp,gas 371.36 J/mol×K 676.89 Calculated Property
Cp,gas 391.09 J/mol×K 757.67 Calculated Property
Cp,gas 407.56 J/mol×K 838.44 Calculated Property
Cp,gas 420.93 J/mol×K 919.22 Calculated Property
Cp,gas 431.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,3,4-Trifluorobenzoic acid, ethyl ester. 2-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-trifluorobenzoic acid, hex-4-yn-3-yl ester. 3-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,4-Difluorobenzoic acid, isopropyl ester. 2,6-difluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-trifluorobenzoic acid, 3-chloroprop-2-enyl ester. 3,4-Difluorobenzoic acid, isopropyl ester. 4-Fluorobenzoic acid, but-3-yn-2-yl ester. 2,3,4-Trifluorobenzoic acid, pent-2-en-4-ynyl ester. 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester. 2,5-Difluorobenzoic acid, isopropyl ester. 2,3,4-Trifluorobenzoic acid, 3-methylbut-2-enyl ester. 2,4-Difluorobenzoic acid, ethyl ester. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester.

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

Sources

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