Chemical Properties of Fumaric acid, pentafluorobenzyl hept-2-yl ester

Fumaric acid, pentafluorobenzyl hept-2-yl ester

InChI
InChI=1S/C18H19F5O4/c1-3-4-5-6-10(2)27-13(25)8-7-12(24)26-9-11-14(19)16(21)18(23)17(22)15(11)20/h7-8,10H,3-6,9H2,1-2H3/b8-7+
InChI Key
CXSPBNKQELSREN-BQYQJAHWSA-N
Formula
C18H19F5O4
SMILES
CCCCCC(C)OC(=O)C=CC(=O)OCc1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
394.33
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
ΔfusH° 55.29 kJ/mol Joback Calculated Property
logPoct/wat 4.493 Crippen Calculated Property
McVol 260.150 ml/mol McGowan Calculated Property
Inp [2061.00; 2061.00]   Show Hide
Inp 2061.00 NIST
Inp 2061.00 NIST
Tboil 583.20 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [759.93; 825.82] J/mol×K [779.53; 961.92] Show Hide
Cp,gas 759.93 J/mol×K 779.53 Joback Calculated Property
Cp,gas 773.07 J/mol×K 809.93 Joback Calculated Property
Cp,gas 785.33 J/mol×K 840.33 Joback Calculated Property
Cp,gas 796.72 J/mol×K 870.72 Joback Calculated Property
Cp,gas 807.26 J/mol×K 901.12 Joback Calculated Property
Cp,gas 816.96 J/mol×K 931.52 Joback Calculated Property
Cp,gas 825.82 J/mol×K 961.92 Joback Calculated Property

Similar Compounds

Fumaric acid, pentafluorobenzyl 2-methylpent-3-yl ester. Glutaric acid, hept-2-yl pentafluorobenzyl ester. Glutaric acid, dec-2-yl pentafluorobenzyl ester. Succinic acid, hept-2-yl pentafluorobenzyl ester. Succinic acid, dec-2-yl pentafluorobenzyl ester. Fumaric acid, pentafluorobenzyl 3-methylbut-2-yl ester. Fumaric acid, pentafluorobenzyl 8-chlorooctyl ester. Pimelic acid, 4-methyl-2-pentyl pentafluorobenzyl ester. Glutaric acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester. Glutaric acid, 2-methylpent-3-yl pentafluorobenzyl ester. Fumaric acid, 4-chlorobenzyl dec-2-yl ester. Fumaric acid, 4-chlorobenzyl hept-2-yl ester. Glutaric acid, 2-ethylhexyl pentafluorobenzyl ester. Succinic acid, 2-methylhex-3-yl 2,3,4,5-tetrafluorobenzyl ester. Succinic acid, 2-ethylhexyl pentafluorobenzyl ester.

Find more compounds similar to Fumaric acid, pentafluorobenzyl hept-2-yl 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.
These property values are available through the Cheméo API. A free account gives you an access key.