Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 1,1,1-trifluoroprop-2-yl ester

Fumaric acid, 1-phenylprop-1-yl 1,1,1-trifluoroprop-2-yl ester

InChI
InChI=1S/C16H17F3O4/c1-3-13(12-7-5-4-6-8-12)23-15(21)10-9-14(20)22-11(2)16(17,18)19/h4-11,13H,3H2,1-2H3/b10-9-
InChI Key
BVAROYDOEYVFSP-KTKRTIGZSA-N
Formula
C16H17F3O4
SMILES
CCC(OC(=O)/C=C/C(=O)OC(C)C(F)(F)F)c1ccccc1
Molecular Weight1
330.30
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
Δfus 34.96 kJ/mol Joback Calculated Property
logPoct/wat 3.731 Crippen Calculated Property
McVol 228.430 ml/mol McGowan Calculated Property
Inp [1744.00; 1744.00]   Show Hide
Inp 1744.00 NIST
Inp 1744.00 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 [641.87; 712.50] J/mol×K [706.66; 903.11] Show Hide
Cp,gas 641.87 J/mol×K 706.66 Joback Calculated Property
Cp,gas 656.16 J/mol×K 739.40 Joback Calculated Property
Cp,gas 669.38 J/mol×K 772.14 Joback Calculated Property
Cp,gas 681.58 J/mol×K 804.89 Joback Calculated Property
Cp,gas 692.80 J/mol×K 837.63 Joback Calculated Property
Cp,gas 703.09 J/mol×K 870.37 Joback Calculated Property
Cp,gas 712.50 J/mol×K 903.11 Joback Calculated Property

Similar Compounds

Fumaric acid, ethyl 1-phenylprop-1-yl ester. Fumaric acid, 1-phenylprop-1-yl 2,2,3,3-tetrafluoropropyl ester. Fumaric acid, 1-phenylprop-1-yl 2,2-dichloroethyl ester. Fumaric acid, 1-phenylprop-1-yl naphth-2-ylmethyl ester. Fumaric acid, 1-phenylprop-1-yl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Fumaric acid, 1-phenylprop-1-yl hept-2-yl ester. Fumaric acid, 1-phenylprop-1-yl 3-chlorophenyl ester. Fumaric acid, 1-phenylprop-1-yl 4-chloro-3-methylphenyl ester. Fumaric acid, 1-phenylprop-1-yl 8-chlorooctyl ester. Fumaric acid, 1-phenylprop-1-yl 2-fluorophenyl ester. Fumaric acid, 1-phenylprop-1-yl 2,4,6-trichlorophenyl ester. Fumaric acid, 1-phenylprop-1-yl 2-ethylhexyl ester. Succinic acid, but-3-yn-2-yl 1-phenylpropyl ester. Succinic acid, 3-methylbut-2-yl 1-phenylpropyl ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 1-phenylpropyl ester.

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 1,1,1-trifluoroprop-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.