Chemical Properties of 2,6-Difluoro-3-methylbenzoic acid, eicosyl ester

2,6-Difluoro-3-methylbenzoic acid, eicosyl ester

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InChI
InChI=1S/C28H46F2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32-28(31)26-25(29)22-21-24(2)27(26)30/h21-22H,3-20,23H2,1-2H3
InChI Key
QEFDIZQXWJOHMF-UHFFFAOYSA-N
Formula
C28H46F2O2
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)c1c(F)ccc(C)c1F
Molecular Weight1
452.66
Sources

Physical Properties

Property Value Unit Source
Δf -355.14 kJ/mol Joback Calculated Property
Δfgas -1056.15 kJ/mol Joback Calculated Property
Δfus 70.10 kJ/mol Joback Calculated Property
Δvap 89.71 kJ/mol Joback Calculated Property
logPoct/wat 9.472 Crippen Calculated Property
Pc 744.88 kPa Joback Calculated Property
Tboil 956.49 K Joback Calculated Property
Tc 1175.43 K Joback Calculated Property
Tfus 542.64 K Joback Calculated Property
Vc 1.556 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1333.55 J/mol×K 956.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 2
=CH- (ring) 2
=C< (ring) 4
-CH2- 19
-CH3 2
>C=O (nonring) 1

Similar Compounds

2,6-Difluoro-3-methylbenzoic acid, 6-chlorohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethylhexyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-pentyl ester. 2,6-Difluoro-3-methylbenzoic acid, neopentyl ester. 2,6-Difluoro-3-methylbenzoic acid, cyclohexyl ester. 2,6-Difluoro-3-methylbenzoic acid, isopropyl ester. 2,6-Difluoro-3-methylbenzoic acid, 2-ethoxyethyl ester. 2,6-Difluoro-3-methylbenzoic acid, methyl ester. 2,6-Difluorobenzoic acid, hexadecyl ester. 2,6-Difluorobenzoic acid, octadecyl ester. 2,6-Difluorobenzoic acid, heptyl ester. 2,6-Difluorobenzoic acid, hexyl ester. 2,6-Difluorobenzoic acid,2-tetradecyl ester. 2,4-Difluorobenzoic acid, 8-chlorooctyl ester. 2-Fluoro-5-trifluoromethylbenzoic acid, heptadecyl ester.

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