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

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

InChI
InChI=1S/C27H42ClFO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-32-26(30)19-20-27(31)33-22-23-24(28)17-16-18-25(23)29/h16-18H,2-15,19-22H2,1H3
InChI Key
AAKOKJAWTBKOFJ-UHFFFAOYSA-N
Formula
C27H42ClFO4
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCc1c(F)cccc1Cl
Molecular Weight1
485.07
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Physical Properties

Property Value Unit Source
ΔfusH° 74.96 kJ/mol Joback Calculated Property
ΔvapH° 135.93 kJ/mol Relay (1.0) Calculated Property
log10WS -8.30 Relay (1.0) Calculated Property
logPoct/wat 8.327 Crippen Calculated Property
McVol 396.420 ml/mol McGowan Calculated Property
Pc 779.81 kPa Joback Calculated Property
Inp [3304.00; 3304.00]   Show Hide
Inp 3304.00 NIST
Inp 3304.00 NIST
Tboil 692.88 K Relay (1.0) Calculated Property
Tfus 329.45 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 [580.38; 1319.24] 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 A4.28380e+01
Coefficient B2.27992e+00
Coefficient C-1.18972e-03
Coefficient D1.86200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 580.38 J/mol×K 273.00 Calculated Property
Cp,gas 708.76 J/mol×K 353.78 Calculated Property
Cp,gas 824.20 J/mol×K 434.56 Calculated Property
Cp,gas 927.29 J/mol×K 515.33 Calculated Property
Cp,gas 1018.60 J/mol×K 596.11 Calculated Property
Cp,gas 1098.73 J/mol×K 676.89 Calculated Property
Cp,gas 1168.27 J/mol×K 757.67 Calculated Property
Cp,gas 1227.81 J/mol×K 838.44 Calculated Property
Cp,gas 1277.94 J/mol×K 919.22 Calculated Property
Cp,gas 1319.24 J/mol×K 1000.00 Calculated Property

Similar Compounds

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 tetradecyl 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 hexadecyl ester.

Sources

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