Chemical Properties of Phthalic acid, heptadecyl pentafluorophenyl ester

Phthalic acid, heptadecyl pentafluorophenyl ester

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InChI
InChI=1S/C31H39F5O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-39-30(37)22-19-16-17-20-23(22)31(38)40-29-27(35)25(33)24(32)26(34)28(29)36/h16-17,19-20H,2-15,18,21H2,1H3
InChI Key
VGINDGOSKODBBO-UHFFFAOYSA-N
Formula
C31H39F5O4
SMILES
CCCCCCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)Oc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
570.63
Sources

Physical Properties

Property Value Unit Source
Δf -1064.71 kJ/mol Joback Calculated Property
Δfgas -1749.08 kJ/mol Joback Calculated Property
Δfus 82.77 kJ/mol Joback Calculated Property
Δvap 107.35 kJ/mol Joback Calculated Property
logPoct/wat 9.63 Crippen Calculated Property
Pc 709.22 kPa Joback Calculated Property
Tboil 1140.85 K Joback Calculated Property
Tc 1434.31 K Joback Calculated Property
Tfus 714.36 K Joback Calculated Property
Vc 1.69 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1471.22 J/mol×K 1140.85 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 5
=CH- (ring) 4
=C< (ring) 8
-CH2- 16
>C=O (nonring) 2
-CH3 1

Similar Compounds

Phthalic acid, pentadecyl pentafluorophenyl ester. Phthalic acid, octadecyl pentafluorophenyl ester. Phthalic acid, nonyl pentafluorophenyl ester. Phthalic acid, dodecyl pentafluorophenyl ester. Phthalic acid, pentafluorophenyl tridecyl ester. Phthalic acid, pentafluorophenyl tetradecyl ester. Phthalic acid, ethyl pentafluorophenyl ester. Phthalic acid, di(pentafluorophenyl) ester. Phthalic acid, 3-fluorophenyl heptadecyl ester. Phthalic acid, 3-fluorophenyl pentadecyl ester. Phthalic acid, 3-fluorophenyl octyl ester. Phthalic acid, 3-fluorophenyl hexadecyl ester. Phthalic acid, 3-fluorophenyl tridecyl ester. Phthalic acid, decyl 3-fluorophenyl ester. Phthalic acid, 3-fluorophenyl tetradecyl ester.

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