Chemical Properties of Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester

Pentafluorobenzoic acid, 2-methyloct-5-yn-4-yl ester

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InChI
InChI=1S/C16H15F5O2/c1-4-5-6-9(7-8(2)3)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h8-9H,4,7H2,1-3H3
InChI Key
NXRDZCWQHUQIGX-UHFFFAOYSA-N
Formula
C16H15F5O2
SMILES
CCC#CC(CC(C)C)OC(=O)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
334.28
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Physical Properties

Property Value Unit Source
Δf -861.95 kJ/mol Joback Calculated Property
Δfgas -1158.00 kJ/mol Joback Calculated Property
Δfus 43.55 kJ/mol Joback Calculated Property
Δvap 63.24 kJ/mol Joback Calculated Property
log10WS -6.39 Crippen Calculated Property
logPoct/wat 4.367 Crippen Calculated Property
McVol 220.230 ml/mol McGowan Calculated Property
Pc 1598.72 kPa Joback Calculated Property
Inp [1568.00; 1568.00]   Show Hide
Inp 1568.00 NIST
Inp 1568.00 NIST
Tboil 697.82 K Joback Calculated Property
Tc 885.47 K Joback Calculated Property
Tfus 510.31 K Joback Calculated Property
Vc 0.887 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [593.74; 663.48] J/mol×K [697.82; 885.47] Show Hide
Cp,gas 593.74 J/mol×K 697.82 Joback Calculated Property
Cp,gas 607.11 J/mol×K 729.10 Joback Calculated Property
Cp,gas 619.78 J/mol×K 760.37 Joback Calculated Property
Cp,gas 631.75 J/mol×K 791.65 Joback Calculated Property
Cp,gas 643.02 J/mol×K 822.92 Joback Calculated Property
Cp,gas 653.59 J/mol×K 854.20 Joback Calculated Property
Cp,gas 663.48 J/mol×K 885.47 Joback Calculated Property

Similar Compounds

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

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

Sources

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