Chemical Properties of Fumaric acid, 2-pentyl 2-chloro-6-fluorophenyl ester

Fumaric acid, 2-pentyl 2-chloro-6-fluorophenyl ester

InChI
InChI=1S/C15H16ClFO4/c1-3-5-10(2)20-13(18)8-9-14(19)21-15-11(16)6-4-7-12(15)17/h4,6-10H,3,5H2,1-2H3/b9-8+
InChI Key
NAMUSLVBSPAJAQ-CMDGGOBGSA-N
Formula
C15H16ClFO4
SMILES
CCCC(C)OC(=O)C=CC(=O)Oc1c(F)cccc1Cl
Molecular Weight1
314.74
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° 40.56 kJ/mol Joback Calculated Property
logPoct/wat 3.672 Crippen Calculated Property
McVol 223.040 ml/mol McGowan Calculated Property
Inp [1989.00; 1989.00]   Show Hide
Inp 1989.00 NIST
Inp 1989.00 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 [594.09; 658.09] J/mol×K [736.30; 942.66] Show Hide
Cp,gas 594.09 J/mol×K 736.30 Joback Calculated Property
Cp,gas 607.14 J/mol×K 770.69 Joback Calculated Property
Cp,gas 619.20 J/mol×K 805.09 Joback Calculated Property
Cp,gas 630.31 J/mol×K 839.48 Joback Calculated Property
Cp,gas 640.48 J/mol×K 873.88 Joback Calculated Property
Cp,gas 649.73 J/mol×K 908.27 Joback Calculated Property
Cp,gas 658.09 J/mol×K 942.66 Joback Calculated Property

Similar Compounds

Fumaric acid, 2-octyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-octyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2-pentyl 2-fluorophenyl ester. Fumaric acid, 2,6-dichlorophenyl hept-2-yl ester. Fumaric acid, 2-chlorophenyl hept-2-yl ester. Fumaric acid, 2-pentyl 2,3-dichlorophenyl ester. Fumaric acid, 2-octyl 2-fluorophenyl ester. Fumaric acid, 2-ethylbutyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 3-methylbutyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 2,4-dichlorophenyl hept-2-yl ester. Fumaric acid, 2,4-dichlorophenyl dec-2-yl ester. Fumaric acid, 2,5-dichlorophenyl hept-2-yl ester. Fumaric acid, 2,5-dichlorophenyl dec-2-yl ester. Fumaric acid, 2-methylpentyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-octyl 2,3-dichlorophenyl ester.

Find more compounds similar to Fumaric acid, 2-pentyl 2-chloro-6-fluorophenyl 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.