Chemical Properties of Glutaric acid, dodec-2-en-1-yl 2-bromo-4-fluorophenyl ester

Glutaric acid, dodec-2-en-1-yl 2-bromo-4-fluorophenyl ester

InChI
InChI=1S/C23H32BrFO4/c1-2-3-4-5-6-7-8-9-10-11-17-28-22(26)13-12-14-23(27)29-21-16-15-19(25)18-20(21)24/h10-11,15-16,18H,2-9,12-14,17H2,1H3/b11-10+
InChI Key
RTODNQSMRWAMHN-ZHACJKMWSA-N
Formula
C23H32BrFO4
SMILES
CCCCCCCCCC=CCOC(=O)CCCC(=O)Oc1ccc(F)cc1Br
Molecular Weight1
471.40
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Physical Properties

Property Value Unit Source
ΔfusH° 65.89 kJ/mol Joback Calculated Property
ΔvapH° 119.60 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 6.904 Crippen Calculated Property
McVol 341.020 ml/mol McGowan Calculated Property
Inp [2994.00; 2994.00]   Show Hide
Inp 2994.00 NIST
Inp 2994.00 NIST
Tboil 675.36 K Relay (1.0) Calculated Property
Tfus 295.68 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [482.10; 1083.09] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A2.75920e+01
Coefficient B1.95132e+00
Coefficient C-1.10692e-03
Coefficient D2.11100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 482.10 J/mol×K 273.00 Calculated Property
Cp,gas 588.73 J/mol×K 353.78 Calculated Property
Cp,gas 683.84 J/mol×K 434.56 Calculated Property
Cp,gas 768.10 J/mol×K 515.33 Calculated Property
Cp,gas 842.17 J/mol×K 596.11 Calculated Property
Cp,gas 906.72 J/mol×K 676.89 Calculated Property
Cp,gas 962.42 J/mol×K 757.67 Calculated Property
Cp,gas 1009.94 J/mol×K 838.44 Calculated Property
Cp,gas 1049.94 J/mol×K 919.22 Calculated Property
Cp,gas 1083.09 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, dodec-2-en-1-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, dodec-2-en-1-yl 4-bromophenyl ester. Glutaric acid, dodec-2-en-1-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, dodec-2-en-1-yl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, dodec-2-en-1-yl 4-acetylphenyl ester. Glutaric acid, dodec-2-en-1-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, dodec-2-en-1-yl 5-methyl-2-methoxybenzyl ester. Glutaric acid, dodec-2-en-1-yl 4-nitrophenyl ester. Glutaric acid, dodec-2-en-1-yl 2,3,4-trifluorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, dodec-2-en-1-yl 2,4-dichlorophenyl ester. Glutaric acid, dodec-2-en-1-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, hex-2-en-1-yl 2-fluorophenyl ester. Glutaric acid, dodec-2-en-1-yl 2,6-dimethoxyphenyl ester. Glutaric acid, dodec-2-en-1-yl 3-ethylphenyl ester.

Find more compounds similar to Glutaric acid, dodec-2-en-1-yl 2-bromo-4-fluorophenyl ester.

Sources

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