Chemical Properties of Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester

Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester

InChI
InChI=1S/C17H7Cl2F5O4/c18-8-2-1-3-9(12(8)19)28-11(26)5-4-10(25)27-6-7-13(20)15(22)17(24)16(23)14(7)21/h1-5H,6H2/b5-4+
InChI Key
VTLHXUPVNYGRDE-SNAWJCMRSA-N
Formula
C17H7Cl2F5O4
SMILES
O=C(C=CC(=O)Oc1cccc(Cl)c1Cl)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
441.13
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Physical Properties

Property Value Unit Source
Δfus 57.88 kJ/mol Joback Calculated Property
logPoct/wat 4.894 Crippen Calculated Property
McVol 246.780 ml/mol McGowan Calculated Property
Inp [2493.00; 2493.00]   Show Hide
Inp 2493.00 NIST
Inp 2493.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [649.95; 684.85] J/mol×K [868.59; 1079.92] Show Hide
Cp,gas 649.95 J/mol×K 868.59 Joback Calculated Property
Cp,gas 658.11 J/mol×K 903.81 Joback Calculated Property
Cp,gas 665.32 J/mol×K 939.03 Joback Calculated Property
Cp,gas 671.58 J/mol×K 974.26 Joback Calculated Property
Cp,gas 676.92 J/mol×K 1009.48 Joback Calculated Property
Cp,gas 681.34 J/mol×K 1044.70 Joback Calculated Property
Cp,gas 684.85 J/mol×K 1079.92 Joback Calculated Property

Similar Compounds

Fumaric acid, pentafluorobenzyl 3-chlorophenyl ester. Fumaric acid, pentafluorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, pentafluorobenzyl 2-chloro-6-fluorophenyl ester. Fumaric acid, pentafluorobenzyl 4-chloro-3-methylphenyl ester. Glutaric acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Succinic acid, 2,3-dichlorophenyl pentafluorobenzyl ester. Fumaric acid, 2,4-dichlorophenyl naphth-2-ylmethyl ester. Glutaric acid, 3-chlorophenyl pentafluorobenzyl ester. Succinic acid, 2-chlorophenyl pentafluorobenzyl ester. Fumaric acid, 2,6-dichlorophenyl naphth-2-ylmethyl ester. 2,4-DP, PFB ester. 2,4-DB, PFB. Succinic acid, 3-chlorophenyl pentafluorobenzyl ester. 2,4,5-TB PFB ester. Glutaric acid, 2-chloro-6-fluorophenyl pentafluorobenzyl ester.

Find more compounds similar to Fumaric acid, pentafluorobenzyl 2,3-dichlorophenyl ester.

Sources

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