Chemical Properties of Succinic acid, 2-chloro-6-fluorobenzyl heptyl ester

Succinic acid, 2-chloro-6-fluorobenzyl heptyl ester

InChI
InChI=1S/C18H24ClFO4/c1-2-3-4-5-6-12-23-17(21)10-11-18(22)24-13-14-15(19)8-7-9-16(14)20/h7-9H,2-6,10-13H2,1H3
InChI Key
XEQFKLYSCHJULR-UHFFFAOYSA-N
Formula
C18H24ClFO4
SMILES
CCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl
Molecular Weight1
358.83
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Physical Properties

Property Value Unit Source
ΔfusH° 51.65 kJ/mol Joback Calculated Property
ΔvapH° 100.76 kJ/mol Relay (1.0) Calculated Property
log10WS -5.68 Relay (1.0) Calculated Property
logPoct/wat 4.816 Crippen Calculated Property
McVol 269.610 ml/mol McGowan Calculated Property
Pc 1354.63 kPa Joback Calculated Property
Inp [2414.00; 2414.00]   Show Hide
Inp 2414.00 NIST
Inp 2414.00 NIST
Tboil 630.72 K Relay (1.0) Calculated Property
Tfus 307.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [389.45; 854.92] 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 A5.10190e+01
Coefficient B1.42492e+00
Coefficient C-7.00120e-04
Coefficient D7.91000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 389.45 J/mol×K 273.00 Calculated Property
Cp,gas 471.00 J/mol×K 353.78 Calculated Property
Cp,gas 544.51 J/mol×K 434.56 Calculated Property
Cp,gas 610.22 J/mol×K 515.33 Calculated Property
Cp,gas 668.40 J/mol×K 596.11 Calculated Property
Cp,gas 719.28 J/mol×K 676.89 Calculated Property
Cp,gas 763.13 J/mol×K 757.67 Calculated Property
Cp,gas 800.18 J/mol×K 838.44 Calculated Property
Cp,gas 830.70 J/mol×K 919.22 Calculated Property
Cp,gas 854.92 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-chloro-6-fluorobenzyl tridecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl hexadecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl tetradecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl pentadecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl dodecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl nonyl ester. Succinic acid, 2-chloro-6-fluorobenzyl octyl ester. Succinic acid, 2-chloro-6-fluorobenzyl undecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl hexyl ester. Succinic acid, 2-chloro-6-fluorobenzyl pentyl ester. Succinic acid, butyl 2-chloro-6-fluorobenzyl ester. Succinic acid, 2-chloro-6-fluorobenzyl propyl ester. Succinic acid, 2-chloro-6-fluorobenzyl 2-methylhex-3-yl ester. Succinic acid, 2-chloro-6-fluorobenzyl isobutyl ester. 2-Chloro-6-fluorobenzyl alcohol, n-pentyl ether.

Find more compounds similar to Succinic acid, 2-chloro-6-fluorobenzyl heptyl ester.

Sources

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