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

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

InChI
InChI=1S/C18H24ClFO5/c1-2-3-4-5-6-7-11-24-16(21)12-23-13-17(22)25-18-14(19)9-8-10-15(18)20/h8-10H,2-7,11-13H2,1H3
InChI Key
KTLXNWRRUPNYCP-UHFFFAOYSA-N
Formula
C18H24ClFO5
SMILES
CCCCCCCCOC(=O)COCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
374.83
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Physical Properties

Property Value Unit Source
ΔfusH° 52.84 kJ/mol Joback Calculated Property
log10WS -5.24 Relay (1.0) Calculated Property
logPoct/wat 4.305 Crippen Calculated Property
McVol 275.480 ml/mol McGowan Calculated Property
Pc 1337.84 kPa Joback Calculated Property
Inp [3152.00; 3152.00]   Show Hide
Inp 3152.00 NIST
Inp 3152.00 NIST
Tfus 310.54 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 [404.86; 873.42] 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 A7.65190e+01
Coefficient B1.36172e+00
Coefficient C-5.89120e-04
Coefficient D2.43000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 404.86 J/mol×K 273.00 Calculated Property
Cp,gas 485.61 J/mol×K 353.78 Calculated Property
Cp,gas 559.01 J/mol×K 434.56 Calculated Property
Cp,gas 625.13 J/mol×K 515.33 Calculated Property
Cp,gas 684.06 J/mol×K 596.11 Calculated Property
Cp,gas 735.87 J/mol×K 676.89 Calculated Property
Cp,gas 780.63 J/mol×K 757.67 Calculated Property
Cp,gas 818.42 J/mol×K 838.44 Calculated Property
Cp,gas 849.33 J/mol×K 919.22 Calculated Property
Cp,gas 873.42 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 hexyl 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 nonyl ester. Diglycolic acid, 2,6-dichlorophenyl heptyl ester. Diglycolic acid, 2,6-dichlorophenyl octyl ester. Diglycolic acid, 2,6-dichlorophenyl hexyl ester. Diglycolic acid, 2-chlorophenyl decyl ester. Diglycolic acid, 2-chlorophenyl heptyl ester. Diglycolic acid, 2-chlorophenyl octyl ester. Diglycolic acid, 2-chlorophenyl hexyl ester. Diglycolic acid, 2-chloro-6-fluorophenyl propyl ester.

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

Sources

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