Chemical Properties of Diglycolic acid, 2-chloro-6-fluorophenyl hexyl ester

Diglycolic acid, 2-chloro-6-fluorophenyl hexyl ester

InChI
InChI=1S/C16H20ClFO5/c1-2-3-4-5-9-22-14(19)10-21-11-15(20)23-16-12(17)7-6-8-13(16)18/h6-8H,2-5,9-11H2,1H3
InChI Key
ULSPKRIOJJHPPT-UHFFFAOYSA-N
Formula
C16H20ClFO5
SMILES
CCCCCCOC(=O)COCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
346.78
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Physical Properties

Property Value Unit Source
ΔfusH° 47.66 kJ/mol Joback Calculated Property
log10WS -4.50 Relay (1.0) Calculated Property
logPoct/wat 3.525 Crippen Calculated Property
McVol 247.300 ml/mol McGowan Calculated Property
Pc 1547.57 kPa Joback Calculated Property
Inp [2897.00; 2897.00]   Show Hide
Inp 2897.00 NIST
Inp 2897.00 NIST
Tfus 302.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [362.43; 770.24] 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 A7.83370e+01
Coefficient B1.17172e+00
Coefficient C-4.80320e-04
Coefficient D5.00000e-10
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 362.43 J/mol×K 273.00 Calculated Property
Cp,gas 432.77 J/mol×K 353.78 Calculated Property
Cp,gas 496.85 J/mol×K 434.56 Calculated Property
Cp,gas 554.67 J/mol×K 515.33 Calculated Property
Cp,gas 606.24 J/mol×K 596.11 Calculated Property
Cp,gas 651.54 J/mol×K 676.89 Calculated Property
Cp,gas 690.60 J/mol×K 757.67 Calculated Property
Cp,gas 723.39 J/mol×K 838.44 Calculated Property
Cp,gas 749.94 J/mol×K 919.22 Calculated Property
Cp,gas 770.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

Diglycolic acid, 2-chloro-6-fluorophenyl nonyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl heptyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl octyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl pentyl ester. Diglycolic acid, butyl 2-chloro-6-fluorophenyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl isohexyl ester. Diglycolic acid, 2,6-dichlorophenyl hexyl ester. Diglycolic acid, 2,6-dichlorophenyl nonyl ester. Diglycolic acid, 2,6-dichlorophenyl heptyl ester. Diglycolic acid, 2,6-dichlorophenyl octyl ester. Diglycolic acid, 2-chlorophenyl hexyl ester. Diglycolic acid, 2-chlorophenyl octyl ester. Diglycolic acid, 2-chlorophenyl decyl ester. Diglycolic acid, 2-chlorophenyl heptyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl propyl ester.

Find more compounds similar to Diglycolic acid, 2-chloro-6-fluorophenyl hexyl ester.

Sources

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