Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl dodec-9-yn-1-yl ester

Succinic acid, 2-chloro-6-fluorophenyl dodec-9-yn-1-yl ester

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InChI
InChI=1S/C22H28ClFO4/c1-2-3-4-5-6-7-8-9-10-11-17-27-20(25)15-16-21(26)28-22-18(23)13-12-14-19(22)24/h12-14H,2,5-11,15-17H2,1H3
InChI Key
MJWPPLIARDXYFO-UHFFFAOYSA-N
Formula
C22H28ClFO4
SMILES
CCC#CCCCCCCCCOC(=O)CCC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
410.91
Sources

Physical Properties

Property Value Unit Source
Δf -244.27 kJ/mol Joback Calculated Property
Δfgas -712.97 kJ/mol Joback Calculated Property
Δfus 61.97 kJ/mol Joback Calculated Property
Δvap 92.20 kJ/mol Joback Calculated Property
logPoct/wat 5.85 Crippen Calculated Property
Pc 1223.41 kPa Joback Calculated Property
Tboil 937.68 K Joback Calculated Property
Tc 1152.70 K Joback Calculated Property
Tfus 670.09 K Joback Calculated Property
Vc 1.24 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 975.40 J/mol×K 937.68 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 1
=CH- (ring) 3
#C- 2
=C< (ring) 3
-CH2- 11
-F 1
-CH3 1
>C=O (nonring) 2

Similar Compounds

Succinic acid, 2-chloro-6-fluorophenyl 8-chlorooctyl ester. Succinic acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester. Succinic acid, 2-chloro-6-fluorophenyl 3-methylbutyl ester. Succinic acid, 2-chloro-6-fluorophenyl pent-4-en-1-yl ester. Succinic acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,2,2-trichloroethyl ester. Glutaric acid, 8-chlorooctyl 2-chloro-6-fluorophenyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 10-chlorodecyl ester. Succinic acid, 2-chloro-6-fluorophenyl tetrahydrofurfuryl ester. Succinic acid, 2-chloro-6-fluorophenyl (2-chlorocyclohexyl)methyl ester. Glutaric acid, 2-chloro-6-fluorophenyl 2-fluoroethyl ester. Succinic acid, 2-chloro-6-fluorophenyl adamant-2-yl ester. Glutaric acid, but-3-yn-2-yl 2-chloro-6-fluorophenyl ester. Succinic acid, 2-chloro-6-fluorophenyl 2,2,3,3,3-pentafluoropropyl ester. Succinic acid, 2-chloro-6-fluorophenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester.

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