Chemical Properties of Fumaric acid, 2,4,4-trimethylpentyl 2,4,6-trichlorophenyl ester

Fumaric acid, 2,4,4-trimethylpentyl 2,4,6-trichlorophenyl ester

InChI
InChI=1S/C18H21Cl3O4/c1-11(9-18(2,3)4)10-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h5-8,11H,9-10H2,1-4H3/b6-5+
InChI Key
GONFSCGHIVWZIX-AATRIKPKSA-N
Formula
C18H21Cl3O4
SMILES
CC(COC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)cc1Cl)CC(C)(C)C
Molecular Weight1
407.72
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 42.68 kJ/mol Joback Calculated Property
logPoct/wat 5.724 Crippen Calculated Property
McVol 288.020 ml/mol McGowan Calculated Property
Inp [2517.00; 2517.00]   Show Hide
Inp 2517.00 NIST
Inp 2517.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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 [807.23; 864.47] J/mol×K [918.22; 1145.98] Show Hide
Cp,gas 807.23 J/mol×K 918.22 Joback Calculated Property
Cp,gas 819.12 J/mol×K 956.18 Joback Calculated Property
Cp,gas 830.00 J/mol×K 994.14 Joback Calculated Property
Cp,gas 839.92 J/mol×K 1032.10 Joback Calculated Property
Cp,gas 848.93 J/mol×K 1070.06 Joback Calculated Property
Cp,gas 857.10 J/mol×K 1108.02 Joback Calculated Property
Cp,gas 864.47 J/mol×K 1145.98 Joback Calculated Property
η [0.0000294; 0.0002721] Pa×s [573.02; 918.22] Show Hide
η 0.0002721 Pa×s 573.02 Joback Calculated Property
η 0.0001586 Pa×s 630.55 Joback Calculated Property
η 0.0001012 Pa×s 688.09 Joback Calculated Property
η 0.0000692 Pa×s 745.62 Joback Calculated Property
η 0.0000500 Pa×s 803.15 Joback Calculated Property
η 0.0000377 Pa×s 860.69 Joback Calculated Property
η 0.0000294 Pa×s 918.22 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-methylpentyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2-ethylbutyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,6-trichlorophenyl 2-ethylhexyl ester. Fumaric acid, isohexyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,4,4-trimethylpentyl 2,3-dichlorophenyl ester. Fumaric acid, 2,4,4-trimethylpentyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-(2-methoxyethyl)hexyl 2,4,6-trichlorophenyl ester. Fumaric acid, 2,6-dichlorophenyl 2-ethylhexyl ester. Fumaric acid, 2,4-dichlorophenyl 2-ethylhexyl ester. Fumaric acid, isohexyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, 2-methylpentyl 2,3-dichlorophenyl ester. Fumaric acid, 2-methylpentyl 2-chloro-6-fluorophenyl ester. Fumaric acid, isohexyl 2,3,6-trichlorophenyl ester. Fumaric acid, 2-chlorophenyl 2-ethylhexyl ester. Fumaric acid, pentyl 2,4,6-trichlorophenyl ester.

Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2,4,6-trichlorophenyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.