Chemical Properties of Fumaric acid, 4-chlorobenzyl 3-methylbut-2-en-1-yl ester

Fumaric acid, 4-chlorobenzyl 3-methylbut-2-en-1-yl ester

InChI
InChI=1S/C16H17ClO4/c1-12(2)9-10-20-15(18)7-8-16(19)21-11-13-3-5-14(17)6-4-13/h3-9H,10-11H2,1-2H3/b8-7+
InChI Key
PEKUSRMEMWLCTM-BQYQJAHWSA-N
Formula
C16H17ClO4
SMILES
CC(C)=CCOC(=O)C=CC(=O)OCc1ccc(Cl)cc1
Molecular Weight1
308.76
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° 42.88 kJ/mol Joback Calculated Property
logPoct/wat 3.449 Crippen Calculated Property
McVol 231.060 ml/mol McGowan Calculated Property
Inp [2298.00; 2298.00]   Show Hide
Inp 2298.00 NIST
Inp 2298.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [308.42; 686.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A4.39200e+00
Coefficient B1.32254e+00
Coefficient C-8.11860e-04
Coefficient D1.71200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 308.42 J/mol×K 273.00 Calculated Property
Cp,gas 378.25 J/mol×K 353.78 Calculated Property
Cp,gas 439.85 J/mol×K 434.56 Calculated Property
Cp,gas 493.77 J/mol×K 515.33 Calculated Property
Cp,gas 540.54 J/mol×K 596.11 Calculated Property
Cp,gas 580.72 J/mol×K 676.89 Calculated Property
Cp,gas 614.84 J/mol×K 757.67 Calculated Property
Cp,gas 643.45 J/mol×K 838.44 Calculated Property
Cp,gas 667.08 J/mol×K 919.22 Calculated Property
Cp,gas 686.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

Fumaric acid, 4-chlorobenzyl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 4-chlorobenzyl 3-methylbut-2-yl ester. Fumaric acid, 4-chlorobenzyl 8-chlorooctyl ester. Fumaric acid, 4-chlorobenzyl cyclohexylmethyl ester. Fumaric acid, 4-chlorobenzyl hept-2-yl ester. Fumaric acid, 4-chlorobenzyl dec-2-yl ester. Fumaric acid, 4-chlorobenzyl 2-ethylhexyl ester. Fumaric acid, 4-chlorobenzyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 4-chlorobenzyl 3-chlorophenyl ester. Fumaric acid, 4-chlorobenzyl 2-methylpent-3-yl ester. Fumaric acid, ethyl 4-phenoxybenzyl ester. Fumaric acid, 4-chlorobenzyl 2-chloro-6-fluorophenyl ester. Fumaric acid, 4-phenoxybenzyl propyl ester. Fumaric acid, 4-chlorobenzyl 2,4,6-trichlorophenyl ester. Fumaric acid, isobutyl 4-phenoxybenzyl ester.

Find more compounds similar to Fumaric acid, 4-chlorobenzyl 3-methylbut-2-en-1-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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.