Chemical Properties of Fumaric acid, 4-chlorophenyl 3-methylbut-2-yl ester

Fumaric acid, 4-chlorophenyl 3-methylbut-2-yl ester

InChI
InChI=1S/C15H17ClO4/c1-10(2)11(3)19-14(17)8-9-15(18)20-13-6-4-12(16)5-7-13/h4-11H,1-3H3
InChI Key
MNNQONZPGLFYBU-CMDGGOBGSA-N
Formula
C15H17ClO4
SMILES
CC(C)C(C)OC(=O)/C=C/C(=O)Oc1ccc(Cl)cc1
Molecular Weight1
296.75
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° 31.18 kJ/mol Joback Calculated Property
IE 8.97 eV Relay (1.0) Calculated Property
logPoct/wat 3.389 Crippen Calculated Property
McVol 221.270 ml/mol McGowan Calculated Property
Inp [2057.00; 2057.00]   Show Hide
Inp 2057.00 NIST
Inp 2057.00 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, 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 [596.13; 662.79] J/mol×K [767.55; 988.14] Show Hide
Cp,gas 596.13 J/mol×K 767.55 Joback Calculated Property
Cp,gas 609.70 J/mol×K 804.31 Joback Calculated Property
Cp,gas 622.24 J/mol×K 841.08 Joback Calculated Property
Cp,gas 633.79 J/mol×K 877.84 Joback Calculated Property
Cp,gas 644.38 J/mol×K 914.61 Joback Calculated Property
Cp,gas 654.04 J/mol×K 951.37 Joback Calculated Property
Cp,gas 662.79 J/mol×K 988.14 Joback Calculated Property
η [0.0000695; 0.0009615] Pa×s [436.91; 767.55] Show Hide
η 0.0009615 Pa×s 436.91 Joback Calculated Property
η 0.0004856 Pa×s 492.02 Joback Calculated Property
η 0.0002814 Pa×s 547.12 Joback Calculated Property
η 0.0001802 Pa×s 602.23 Joback Calculated Property
η 0.0001244 Pa×s 657.34 Joback Calculated Property
η 0.0000909 Pa×s 712.44 Joback Calculated Property
η 0.0000695 Pa×s 767.55 Joback Calculated Property

Similar Compounds

Fumaric acid, 2,4-dichlorophenyl 3-methylbut-2-yl ester. Fumaric acid, 2-chlorophenyl 3-methylbut-2-yl ester. Fumaric acid, 4-methoxyphenyl 3-methylbut-2-yl ester. Fumaric acid, 4-bromophenyl 3-methylbut-2-yl ester. Fumaric acid, 2,5-dichlorophenyl 3-methylbut-2-yl ester. Fumaric acid, naphth-2-yl 3-methylbut-2-yl ester. Fumaric acid, naphth-1-yl 3-methylbut-2-yl ester. Fumaric acid, 2,4-dichlorophenyl 2-methylpent-3-yl ester. Fumaric acid, 2,4,6-trichlorophenyl 3-methylbut-2-yl ester. Fumaric acid, 2-methoxyphenyl 3-methylbut-2-yl ester. Fumaric acid, 4-methoxyphenyl 2-methylpent-3-yl ester. Fumaric acid, 4-bromophenyl 2-methylpent-3-yl ester. Fumaric acid, naphth-2-yl 2-methylpent-3-yl ester. Fumaric acid, 2,5-dichlorophenyl 2-methylpent-3-yl ester. Fumaric acid, 4-chlorophenyl hept-2-yl ester.

Find more compounds similar to Fumaric acid, 4-chlorophenyl 3-methylbut-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.