Chemical Properties of Phthalic acid, 2-bromo-5-fluorobenzyl hexyl ester

Phthalic acid, 2-bromo-5-fluorobenzyl hexyl ester

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InChI
InChI=1S/C21H22BrFO4/c1-2-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14-15-13-16(23)10-11-19(15)22/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChI Key
ZCCXVMCOTHMQCG-UHFFFAOYSA-N
Formula
C21H22BrFO4
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)OCc1cc(F)ccc1Br
Molecular Weight1
437.30
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Physical Properties

Property Value Unit Source
Δf -326.46 kJ/mol Joback Calculated Property
Δfgas -697.50 kJ/mol Joback Calculated Property
Δfus 51.00 kJ/mol Joback Calculated Property
Δvap 92.81 kJ/mol Joback Calculated Property
log10WS -7.65 Crippen Calculated Property
logPoct/wat 5.682 Crippen Calculated Property
McVol 293.380 ml/mol McGowan Calculated Property
Pc 1598.72 kPa Joback Calculated Property
Inp [3197.00; 3197.00]   Show Hide
Inp 3197.00 NIST
Inp 3197.00 NIST
Tboil 966.19 K Joback Calculated Property
Tc 1195.30 K Joback Calculated Property
Tfus 621.54 K Joback Calculated Property
Vc 1.123 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [877.29; 929.94] J/mol×K [966.19; 1195.30] Show Hide
Cp,gas 877.29 J/mol×K 966.19 Joback Calculated Property
Cp,gas 889.03 J/mol×K 1004.38 Joback Calculated Property
Cp,gas 899.52 J/mol×K 1042.56 Joback Calculated Property
Cp,gas 908.82 J/mol×K 1080.75 Joback Calculated Property
Cp,gas 916.96 J/mol×K 1118.93 Joback Calculated Property
Cp,gas 923.98 J/mol×K 1157.12 Joback Calculated Property
Cp,gas 929.94 J/mol×K 1195.30 Joback Calculated Property

Similar Compounds

Phthalic acid, 2-bromo-5-fluorobenzyl decyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl nonyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl undecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl dodecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl tridecyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Phthalic acid, butyl 2-bromo-5-fluorobenzyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl hexyl ester. Phthalic acid, 2-bromo-5-fluorobenzyl propyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl octyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl heptyl ester. Terephthalic acid, 2-bromo-5-fluorobenzyl pentyl ester. Phthalic acid, 3-fluorobenzyl hexyl ester.

Find more compounds similar to Phthalic acid, 2-bromo-5-fluorobenzyl hexyl ester.

Sources

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