Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2,4,5-trichlorophenyl ester

Glutaric acid, 3-methylbut-2-en-1-yl 2,4,5-trichlorophenyl ester

InChI
InChI=1S/C16H17Cl3O4/c1-10(2)6-7-22-15(20)4-3-5-16(21)23-14-9-12(18)11(17)8-13(14)19/h6,8-9H,3-5,7H2,1-2H3
InChI Key
FPJKVLBMLXMJKM-UHFFFAOYSA-N
Formula
C16H17Cl3O4
SMILES
CC(C)=CCOC(=O)CCCC(=O)Oc1cc(Cl)c(Cl)cc1Cl
Molecular Weight1
379.67
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Physical Properties

Property Value Unit Source
ΔfusH° 50.29 kJ/mol Joback Calculated Property
logPoct/wat 5.232 Crippen Calculated Property
McVol 259.840 ml/mol McGowan Calculated Property
Inp [2564.00; 2564.00]   Show Hide
Inp 2564.00 NIST
Inp 2564.00 NIST
Tfus 337.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 [354.34; 727.31] 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 A7.29540e+01
Coefficient B1.19714e+00
Coefficient C-6.34780e-04
Coefficient D9.20000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 354.34 J/mol×K 273.00 Calculated Property
Cp,gas 421.10 J/mol×K 353.78 Calculated Property
Cp,gas 480.86 J/mol×K 434.56 Calculated Property
Cp,gas 533.89 J/mol×K 515.33 Calculated Property
Cp,gas 580.50 J/mol×K 596.11 Calculated Property
Cp,gas 620.97 J/mol×K 676.89 Calculated Property
Cp,gas 655.60 J/mol×K 757.67 Calculated Property
Cp,gas 684.67 J/mol×K 838.44 Calculated Property
Cp,gas 708.48 J/mol×K 919.22 Calculated Property
Cp,gas 727.31 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, 3-methylbut-2-en-1-yl 2,5-dichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,3,5-trichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,4-dichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 3-chlorophenyl ester. Glutaric acid, ethyl 2,4,5-trichlorophenyl ester. Glutaric acid, 3-methylbut-2-en 2-chloro-5-methylphenyl ester. Glutaric acid, pent-2-en-1-yl 2,3-dichlorophenyl ester. Glutaric acid, propyl 2,4,5-trichlorophenyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,6-dichlorophenyl ester. Glutaric acid, hex-2-en-1-yl 2,3-dichlorophenyl ester. Glutaric acid, 2,2-dichloroethyl 2,4,5-trichlorophenyl ester. Glutaric acid, isobutyl 2,4,5-trichlorophenyl ester. Glutaric acid, butyl 2,4,5-trichlorophenyl ester. Glutaric acid, dodec-2-en-1-yl 2,3,5-trichlorophenyl ester. Adipic acid, ethyl 2,4,5-trichlorophenyl ester.

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2,4,5-trichlorophenyl ester.

Sources

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