Chemical Properties of 2,6-Difluorobenzoic 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

InChI
InChI=1S/C18H20F2O2/c1-5-7-13(4)16(11-10-12(2)3)22-18(21)17-14(19)8-6-9-15(17)20/h6,8-9,13,16H,2,5,7H2,1,3-4H3
InChI Key
BJEBUIYNTARECX-UHFFFAOYSA-N
Formula
C18H20F2O2
SMILES
C=C(C)C#CC(OC(=O)c1c(F)cccc1F)C(C)CCC
Molecular Weight1
306.35
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Physical Properties

Property Value Unit Source
ΔfusH° 39.65 kJ/mol Joback Calculated Property
logPoct/wat 4.506 Crippen Calculated Property
McVol 238.800 ml/mol McGowan Calculated Property
Inp 1858.50 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [340.73; 756.78] 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 A3.03220e+01
Coefficient B1.32666e+00
Coefficient C-7.30180e-04
Coefficient D1.29980e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 340.73 J/mol×K 273.00 Calculated Property
Cp,gas 414.03 J/mol×K 353.78 Calculated Property
Cp,gas 479.61 J/mol×K 434.56 Calculated Property
Cp,gas 537.87 J/mol×K 515.33 Calculated Property
Cp,gas 589.22 J/mol×K 596.11 Calculated Property
Cp,gas 634.08 J/mol×K 676.89 Calculated Property
Cp,gas 672.86 J/mol×K 757.67 Calculated Property
Cp,gas 705.96 J/mol×K 838.44 Calculated Property
Cp,gas 733.79 J/mol×K 919.22 Calculated Property
Cp,gas 756.78 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-Fluorobenzoic 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. 3-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Fluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Pentafluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 2,6-Difluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Nitrobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Chlorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. 4-Bromobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester. 1-Naphthoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, butyl 2,6-dimethylnon-1-en-3-yn-5-yl ester. Isophthalic acid, 2,6-dimethylnon-1-en-3-yn-5-yl pentyl ester.

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

Sources

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