Chemical Properties of Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-yl ester

Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-yl ester

InChI
InChI=1S/C16H14Cl2O4/c1-3-5-12(4-2)21-15(19)8-9-16(20)22-14-7-6-11(17)10-13(14)18/h6-10,12H,4H2,1-2H3/b9-8+
InChI Key
MFZOERMALNZLAH-CMDGGOBGSA-N
Formula
C16H14Cl2O4
SMILES
CC#CC(CC)OC(=O)C=CC(=O)Oc1ccc(Cl)cc1Cl
Molecular Weight1
341.19
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° 47.39 kJ/mol Joback Calculated Property
IE 8.87 eV Relay (1.0) Calculated Property
logPoct/wat 3.800 Crippen Calculated Property
McVol 239.000 ml/mol McGowan Calculated Property
Inp [2335.00; 2335.00]   Show Hide
Inp 2335.00 NIST
Inp 2335.00 NIST
Tboil 598.89 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, 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 [613.79; 668.48] J/mol×K [806.34; 1040.46] Show Hide
Cp,gas 613.79 J/mol×K 806.34 Joback Calculated Property
Cp,gas 625.67 J/mol×K 845.36 Joback Calculated Property
Cp,gas 636.40 J/mol×K 884.38 Joback Calculated Property
Cp,gas 646.02 J/mol×K 923.40 Joback Calculated Property
Cp,gas 654.55 J/mol×K 962.42 Joback Calculated Property
Cp,gas 662.03 J/mol×K 1001.44 Joback Calculated Property
Cp,gas 668.48 J/mol×K 1040.46 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-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.