Chemical Properties of Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester

Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester

InChI
InChI=1S/C16H19BrF2O4/c1-10(2)8-22-15(20)4-3-5-16(21)23-9-12-13(18)6-11(17)7-14(12)19/h6-7,10H,3-5,8-9H2,1-2H3
InChI Key
FBWSLBSCKKSTTF-UHFFFAOYSA-N
Formula
C16H19BrF2O4
SMILES
CC(C)COC(=O)CCCC(=O)OCc1c(F)cc(Br)cc1F
Molecular Weight1
393.22
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Physical Properties

Property Value Unit Source
ΔfH°gas -1087.58 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.73 kJ/mol Joback Calculated Property
ΔvapH° 91.91 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.140 Crippen Calculated Property
McVol 248.460 ml/mol McGowan Calculated Property
Pc 1637.78 kPa Joback Calculated Property
Inp [2238.00; 2238.00]   Show Hide
Inp 2238.00 NIST
Inp 2238.00 NIST
Tboil 627.07 K Relay (1.0) Calculated Property
Tc 813.08 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [692.05; 754.40] J/mol×K [788.00; 987.80] Show Hide
Cp,gas 692.05 J/mol×K 788.00 Joback Calculated Property
Cp,gas 704.86 J/mol×K 821.30 Joback Calculated Property
Cp,gas 716.69 J/mol×K 854.60 Joback Calculated Property
Cp,gas 727.55 J/mol×K 887.90 Joback Calculated Property
Cp,gas 737.44 J/mol×K 921.20 Joback Calculated Property
Cp,gas 746.39 J/mol×K 954.50 Joback Calculated Property
Cp,gas 754.40 J/mol×K 987.80 Joback Calculated Property

Similar Compounds

Sebacic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl propyl ester. Succinic acid, 4-bromo-2,6-difluorobenzyl isobutyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl butyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl ethyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl pentyl ester. Sebacic acid, 4-bromo-2,6-difluorobenzyl propyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl hexyl ester. Sebacic acid, 4-bromo-2,6-difluorobenzyl butyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl heptyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl undecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl dodecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl octyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl pentadecyl ester. Glutaric acid, 2,6-difluoro-4-bromobenzyl tetradecyl ester.

Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl isobutyl ester.

Sources

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