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

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

InChI
InChI=1S/C25H38ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-30-24(28)17-18-25(29)31-20-21-22(26)15-14-16-23(21)27/h14-16H,2-13,17-20H2,1H3
InChI Key
TYTVXECXYFEKRA-UHFFFAOYSA-N
Formula
C25H38ClFO4
SMILES
CCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl
Molecular Weight1
457.02
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Physical Properties

Property Value Unit Source
ΔfusH° 69.78 kJ/mol Joback Calculated Property
ΔvapH° 128.13 kJ/mol Relay (1.0) Calculated Property
log10WS -7.74 Relay (1.0) Calculated Property
logPoct/wat 7.547 Crippen Calculated Property
McVol 368.240 ml/mol McGowan Calculated Property
Pc 870.68 kPa Joback Calculated Property
Inp [3104.00; 3104.00]   Show Hide
Inp 3104.00 NIST
Inp 3104.00 NIST
Tboil 679.51 K Relay (1.0) Calculated Property
Tfus 325.63 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 [537.95; 1216.06] 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 A4.46560e+01
Coefficient B2.08992e+00
Coefficient C-1.08092e-03
Coefficient D1.62400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 537.95 J/mol×K 273.00 Calculated Property
Cp,gas 655.93 J/mol×K 353.78 Calculated Property
Cp,gas 762.05 J/mol×K 434.56 Calculated Property
Cp,gas 856.83 J/mol×K 515.33 Calculated Property
Cp,gas 940.78 J/mol×K 596.11 Calculated Property
Cp,gas 1014.41 J/mol×K 676.89 Calculated Property
Cp,gas 1078.24 J/mol×K 757.67 Calculated Property
Cp,gas 1132.78 J/mol×K 838.44 Calculated Property
Cp,gas 1178.55 J/mol×K 919.22 Calculated Property
Cp,gas 1216.06 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, 2-chloro-6-fluorobenzyl hexadecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl nonyl ester. Succinic acid, 2-chloro-6-fluorobenzyl tridecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl heptyl ester. Succinic acid, 2-chloro-6-fluorobenzyl pentadecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl octyl ester. Succinic acid, 2-chloro-6-fluorobenzyl dodecyl 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 tetradecyl ester.

Sources

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