Chemical Properties of Fumaric acid, isohexyl 2,3,4,5-tetrachlorophenyl ester

Fumaric acid, isohexyl 2,3,4,5-tetrachlorophenyl ester

InChI
InChI=1S/C16H16Cl4O4/c1-9(2)4-3-7-23-12(21)5-6-13(22)24-11-8-10(17)14(18)16(20)15(11)19/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
InChI Key
ZIJTYAMLAPSFSL-AATRIKPKSA-N
Formula
C16H16Cl4O4
SMILES
CC(C)CCCOC(=O)C=CC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1Cl
Molecular Weight1
414.11
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Physical Properties

Property Value Unit Source
Δfus 51.89 kJ/mol Joback Calculated Property
logPoct/wat 5.741 Crippen Calculated Property
McVol 272.080 ml/mol McGowan Calculated Property
Inp 2735.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [705.29; 749.80] J/mol×K [882.16; 1105.60] Show Hide
Cp,gas 705.29 J/mol×K 882.16 Joback Calculated Property
Cp,gas 715.31 J/mol×K 919.40 Joback Calculated Property
Cp,gas 724.25 J/mol×K 956.64 Joback Calculated Property
Cp,gas 732.15 J/mol×K 993.88 Joback Calculated Property
Cp,gas 739.03 J/mol×K 1031.12 Joback Calculated Property
Cp,gas 744.90 J/mol×K 1068.36 Joback Calculated Property
Cp,gas 749.80 J/mol×K 1105.60 Joback Calculated Property
η [0.0000338; 0.0003518] Pa×s [530.84; 882.16] Show Hide
η 0.0003518 Pa×s 530.84 Joback Calculated Property
η 0.0001960 Pa×s 589.39 Joback Calculated Property
η 0.0001214 Pa×s 647.95 Joback Calculated Property
η 0.0000814 Pa×s 706.50 Joback Calculated Property
η 0.0000580 Pa×s 765.05 Joback Calculated Property
η 0.0000434 Pa×s 823.61 Joback Calculated Property
η 0.0000338 Pa×s 882.16 Joback Calculated Property

Similar Compounds

Fumaric acid, isohexyl 2,3,5-trichlorophenyl ester. Fumaric acid, isohexyl 2,4,5-trichlorophenyl ester. Fumaric acid, pentyl 2,3,4,5-tetrachlorophenyl ester. Fumaric acid, hexyl 2,3,4,5-tetrachlorophenyl ester. Fumaric acid, isohexyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, isohexyl 3,4,5-trichlorophenyl ester. Fumaric acid, isohexyl 2,3,5,6-tetrachlorophenyl ester. Fumaric acid, isohexyl pentachlorophenyl ester. Fumaric acid, isohexyl 2,3,6-trichlorophenyl ester. Fumaric acid, octyl 2,3,5-trichlorophenyl ester. Fumaric acid, nonyl 2,3,5-trichlorophenyl ester. Fumaric acid, heptyl 2,3,5-trichlorophenyl ester. Fumaric acid, decyl 2,3,5-trichlorophenyl ester. Fumaric acid, hexyl 2,3,5-trichlorophenyl ester. Fumaric acid, pentyl 2,3,5-trichlorophenyl ester.

Find more compounds similar to Fumaric acid, isohexyl 2,3,4,5-tetrachlorophenyl ester.

Sources

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