Chemical Properties of Phthalic acid, hexyl 2,3,6-trifluorobenzyl ester

Phthalic acid, hexyl 2,3,6-trifluorobenzyl ester

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InChI
InChI=1S/C21H21F3O4/c1-2-3-4-7-12-27-20(25)14-8-5-6-9-15(14)21(26)28-13-16-17(22)10-11-18(23)19(16)24/h5-6,8-11H,2-4,7,12-13H2,1H3
InChI Key
AHLBHDMOPCCZJX-UHFFFAOYSA-N
Formula
C21H21F3O4
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OCc1c(F)ccc(F)c1F
Molecular Weight1
394.38
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Physical Properties

Property Value Unit Source
Δf -740.03 kJ/mol Joback Calculated Property
Δfgas -1127.52 kJ/mol Joback Calculated Property
Δfus 51.49 kJ/mol Joback Calculated Property
Δvap 85.40 kJ/mol Joback Calculated Property
log10WS -7.15 Crippen Calculated Property
logPoct/wat 5.198 Crippen Calculated Property
McVol 279.420 ml/mol McGowan Calculated Property
Pc 1397.50 kPa Joback Calculated Property
Inp [2520.00; 2520.00]   Show Hide
Inp 2520.00 NIST
Inp 2520.00 NIST
Tboil 903.55 K Joback Calculated Property
Tc 1114.31 K Joback Calculated Property
Tfus 575.44 K Joback Calculated Property
Vc 1.097 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [857.56; 916.79] J/mol×K [903.55; 1114.31] Show Hide
Cp,gas 857.56 J/mol×K 903.55 Joback Calculated Property
Cp,gas 870.32 J/mol×K 938.68 Joback Calculated Property
Cp,gas 881.90 J/mol×K 973.80 Joback Calculated Property
Cp,gas 892.31 J/mol×K 1008.93 Joback Calculated Property
Cp,gas 901.59 J/mol×K 1044.06 Joback Calculated Property
Cp,gas 909.74 J/mol×K 1079.18 Joback Calculated Property
Cp,gas 916.79 J/mol×K 1114.31 Joback Calculated Property

Similar Compounds

Phthalic acid, heptyl 2,3,6-trifluorobenzyl ester. Phthalic acid, dodecyl 2,3,6-trifluorobenzyl ester. Phthalic acid, 2,3,6-trifluorobenzyl undecyl ester. Phthalic acid, decyl 2,3,6-trifluorobenzyl ester. Phthalic acid, nonyl 2,3,6-trifluorobenzyl ester. Phthalic acid, pentyl 2,3,6-trifluorobenzyl ester. Phthalic acid, butyl 2,3,6-trifluorobenzyl ester. Phthalic acid, 2,5-difluorobenzyl hexyl ester. Phthalic acid, hexyl 2,3,4,5-tetrafluorobenzyl ester. Phthalic acid, hexyl 2,4,5-trifluorobenzyl ester. Phthalic acid, heptyl 2,3,4,5-tetrafluorobenzyl ester. Phthalic acid, heptyl 2,4,5-trifluorobenzyl ester. Phthalic acid, decyl 2,5-difluorobenzyl ester. Phthalic acid, 2,5-difluorobenzyl nonyl ester. Phthalic acid, 2,5-difluorobenzyl tridecyl ester.

Find more compounds similar to Phthalic acid, hexyl 2,3,6-trifluorobenzyl ester.

Sources

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