Chemical Properties of Isophthalic acid, 2-bromo-4-fluorophenyl isobutyl ester

Isophthalic acid, 2-bromo-4-fluorophenyl isobutyl ester

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InChI
InChI=1S/C18H16BrFO4/c1-11(2)10-23-17(21)12-4-3-5-13(8-12)18(22)24-16-7-6-14(20)9-15(16)19/h3-9,11H,10H2,1-2H3
InChI Key
VDQQAFYESLIENV-UHFFFAOYSA-N
Formula
C18H16BrFO4
SMILES
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc(F)cc2Br)c1
Molecular Weight1
395.22
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Physical Properties

Property Value Unit Source
Δf -354.16 kJ/mol Joback Calculated Property
Δfgas -640.86 kJ/mol Joback Calculated Property
Δfus 39.71 kJ/mol Joback Calculated Property
Δvap 85.74 kJ/mol Joback Calculated Property
log10WS -6.31 Crippen Calculated Property
logPoct/wat 4.620 Crippen Calculated Property
McVol 251.110 ml/mol McGowan Calculated Property
Pc 2056.76 kPa Joback Calculated Property
Inp [2615.00; 2615.00]   Show Hide
Inp 2615.00 NIST
Inp 2615.00 NIST
Tboil 897.11 K Joback Calculated Property
Tc 1132.09 K Joback Calculated Property
Tfus 572.73 K Joback Calculated Property
Vc 0.950 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [706.08; 757.14] J/mol×K [897.11; 1132.09] Show Hide
Cp,gas 706.08 J/mol×K 897.11 Joback Calculated Property
Cp,gas 717.50 J/mol×K 936.27 Joback Calculated Property
Cp,gas 727.71 J/mol×K 975.44 Joback Calculated Property
Cp,gas 736.74 J/mol×K 1014.60 Joback Calculated Property
Cp,gas 744.64 J/mol×K 1053.76 Joback Calculated Property
Cp,gas 751.43 J/mol×K 1092.92 Joback Calculated Property
Cp,gas 757.14 J/mol×K 1132.09 Joback Calculated Property

Similar Compounds

Isophthalic acid, 2-bromo-4-fluorophenyl propyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl butyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl pentyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl hexyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl isohexyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl heptyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl nonyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl dodecyl ester. Isophthalic acid, 2-bromo-4-fluorophenyl octyl ester. Isophthalic acid, 4-bromophenyl isobutyl ester. Isophthalic acid, 2-fluorophenyl isobutyl ester. Isophthalic acid, 4-chlorophenyl isobutyl ester. Isophthalic acid, isobutyl 2-methylphenyl ester. Isophthalic acid, isobutyl phenyl ester. Isophthalic acid, 4-cyanophenyl isobutyl ester.

Find more compounds similar to Isophthalic acid, 2-bromo-4-fluorophenyl isobutyl ester.

Sources

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