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

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

InChI
InChI=1S/C15H18ClFO4/c1-10(2)8-20-14(18)6-7-15(19)21-9-11-12(16)4-3-5-13(11)17/h3-5,10H,6-9H2,1-2H3
InChI Key
BTELQSNTMPDWAP-UHFFFAOYSA-N
Formula
C15H18ClFO4
SMILES
CC(C)COC(=O)CCC(=O)OCc1c(F)cccc1Cl
Molecular Weight1
316.75
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Physical Properties

Property Value Unit Source
ΔfH°gas -942.81 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 37.20 kJ/mol Joback Calculated Property
ΔvapH° 87.13 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.502 Crippen Calculated Property
McVol 227.340 ml/mol McGowan Calculated Property
Pc 1827.85 kPa Joback Calculated Property
Inp [2068.00; 2068.00]   Show Hide
Inp 2068.00 NIST
Inp 2068.00 NIST
Tboil 604.79 K Relay (1.0) Calculated Property
Tc 796.44 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [627.25; 693.05] J/mol×K [768.08; 972.20] Show Hide
Cp,gas 627.25 J/mol×K 768.08 Joback Calculated Property
Cp,gas 640.50 J/mol×K 802.10 Joback Calculated Property
Cp,gas 652.83 J/mol×K 836.12 Joback Calculated Property
Cp,gas 664.24 J/mol×K 870.14 Joback Calculated Property
Cp,gas 674.75 J/mol×K 904.16 Joback Calculated Property
Cp,gas 684.35 J/mol×K 938.18 Joback Calculated Property
Cp,gas 693.05 J/mol×K 972.20 Joback Calculated Property

Similar Compounds

Succinic acid, 2-chloro-6-fluorobenzyl propyl ester. Succinic acid, butyl 2-chloro-6-fluorobenzyl ester. Succinic acid, 2-chloro-6-fluorobenzyl pentyl ester. Succinic acid, 2-chloro-6-fluorobenzyl ethyl ester. Succinic acid, 2-chloro-6-fluorobenzyl tetradecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl hexadecyl 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 tridecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl nonyl ester. Succinic acid, 2-chloro-6-fluorobenzyl undecyl ester. Succinic acid, 2-chloro-6-fluorobenzyl hexyl ester. Succinic acid, di(2-chloro-6-fluorobenzyl) ester.

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

Sources

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