Chemical Properties of 2-Fluorobenzoic acid, tridec-2-ynyl ester

2-Fluorobenzoic acid, tridec-2-ynyl ester

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InChI
InChI=1S/C20H27FO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16H,2-10,17H2,1H3
InChI Key
ZDLMJQNIVYTDCO-UHFFFAOYSA-N
Formula
C20H27FO2
SMILES
CCCCCCCCCCC#CCOC(=O)c1ccccc1F
Molecular Weight1
318.43
Sources

Physical Properties

Property Value Unit Source
Δf -5.63 kJ/mol Joback Calculated Property
Δfgas -399.68 kJ/mol Joback Calculated Property
Δfus 50.20 kJ/mol Joback Calculated Property
Δvap 73.54 kJ/mol Joback Calculated Property
logPoct/wat 5.52 Crippen Calculated Property
Pc 1412.25 kPa Joback Calculated Property
Tboil 773.22 K Joback Calculated Property
Tc 972.76 K Joback Calculated Property
Tfus 532.95 K Joback Calculated Property
Vc 1.05 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 785.93 J/mol×K 773.22 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 1
=CH- (ring) 4
#C- 2
=C< (ring) 2
-CH2- 10
-CH3 1
>C=O (nonring) 1

Similar Compounds

2,6-difluorobenzoic acid, tridec-2-ynyl ester. Ethyl 2-fluorobenzoate. 2-Fluorobenzoic acid, hex-4-yn-3-yl ester. Propyl 2-fluorobenzoate. 2-Fluorobenzoic acid, butyl ester. 2-Fluorobenzoic acid, 3-methylbutyl ester. 2,3,4-Trifluorobenzoic acid, tridec-2-ynyl ester. 2,6-Difluorobenzoic acid, but-3-yn-2-yl ester. 2-Fluorobenzoic acid, 3-methylbut-2-enyl ester. 2,6-Difluorobenzoic acid, ethyl ester. 2-Fluorobenzoic acid, undec-2-enyl ester. 2-Fluorobenzoic acid, pent-2-en-4-ynyl ester. 2,6-Difluorobenzoic acid, hex-4-yn-3-yl ester. 2-Fluorobenzoic acid, 2-methyloct-5-yn-4-yl ester. 2-Fluorobenzoic acid, 8-chlorooctyl ester.

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