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

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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
Sources

Physical Properties

Property Value Unit Source
Δf -774.24 kJ/mol Joback Calculated Property
Δfgas -1063.00 kJ/mol Joback Calculated Property
Δfus 43.55 kJ/mol Joback Calculated Property
Δvap 64.88 kJ/mol Joback Calculated Property
logPoct/wat 4.53 Crippen Calculated Property
Pc 1537.87 kPa Joback Calculated Property
Tboil 717.26 K Joback Calculated Property
Tc 908.56 K Joback Calculated Property
Tfus 505.86 K Joback Calculated Property
Vc 0.93 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 622.79 J/mol×K 717.26 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 1
-F 5
=CH2 1
#C- 2
=C< (ring) 6
-CH2- 1
=C< 1
-CH3 3
>C=O (nonring) 1

Similar Compounds

2,3,4-Trifluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 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, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Pentafluorobenzoic acid, hex-4-yn-3-yl ester. 2,6-Difluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,3,4-Trifluorobenzoic acid, hex-4-yn-3-yl ester. 4-Methylpentan-2-yl 2,3,4,5,6-pentafluorobenzoate. 2-Fluorobenzoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Pentafluorobenzoic acid, tridec-2-ynyl ester. Octan-2-yl 2,3,4,5,6-pentafluorobenzoate. Pentafluorobenzoic acid, but-3-yn-2-yl ester. 2,6-Difluorobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 1,2-dimethylpropyl pentafluorobenzoate. Isopentyl 2,3,4,5,6-pentafluorobenzoate.

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