Chemical Properties of Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C17H15F5O2/c1-8(2)5-6-10(7-9(3)4)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h9-10H,1,7H2,2-4H3
InChI Key
XSVXMGNYSMOXGA-UHFFFAOYSA-N
Formula
C17H15F5O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
346.29
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Physical Properties

Property Value Unit Source
ΔfusH° 45.14 kJ/mol Joback Calculated Property
logPoct/wat 4.533 Crippen Calculated Property
McVol 230.020 ml/mol McGowan Calculated Property
Inp 1612.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [351.76; 717.28] 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 A9.24010e+01
Coefficient B1.08856e+00
Coefficient C-5.23860e-04
Coefficient D6.01800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.76 J/mol×K 273.00 Calculated Property
Cp,gas 414.61 J/mol×K 353.78 Calculated Property
Cp,gas 471.45 J/mol×K 434.56 Calculated Property
Cp,gas 522.49 J/mol×K 515.33 Calculated Property
Cp,gas 567.90 J/mol×K 596.11 Calculated Property
Cp,gas 607.88 J/mol×K 676.89 Calculated Property
Cp,gas 642.62 J/mol×K 757.67 Calculated Property
Cp,gas 672.30 J/mol×K 838.44 Calculated Property
Cp,gas 697.13 J/mol×K 919.22 Calculated Property
Cp,gas 717.28 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. Pentafluorobenzoic 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. 2,6-Difluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,3,4-trifluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,6-Difluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 4-Cyanobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 4-Chlorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,3,4-trifluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. 2,6-Difluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1-Naphthoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to Pentafluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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