Chemical Properties of Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester

Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester

InChI
InChI=1S/C15H14F3NO4/c1-10(15(16,17)18)22-13(20)3-2-4-14(21)23-12-7-5-11(9-19)6-8-12/h5-8,10H,2-4H2,1H3
InChI Key
REESAFQZGUNGSO-UHFFFAOYSA-N
Formula
C15H14F3NO4
SMILES
CC(OC(=O)CCCC(=O)Oc1ccc(C#N)cc1)C(F)(F)F
Molecular Weight1
329.27
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° 36.80 kJ/mol Joback Calculated Property
IE 9.44 eV Relay (1.0) Calculated Property
logPoct/wat 3.128 Crippen Calculated Property
McVol 220.020 ml/mol McGowan Calculated Property
Inp [2023.00; 2023.00]   Show Hide
Inp 2023.00 NIST
Inp 2023.00 NIST
Tfus 333.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [634.28; 685.86] J/mol×K [787.12; 990.25] Show Hide
Cp,gas 634.28 J/mol×K 787.12 Joback Calculated Property
Cp,gas 645.21 J/mol×K 820.97 Joback Calculated Property
Cp,gas 655.17 J/mol×K 854.83 Joback Calculated Property
Cp,gas 664.18 J/mol×K 888.68 Joback Calculated Property
Cp,gas 672.28 J/mol×K 922.54 Joback Calculated Property
Cp,gas 679.50 J/mol×K 956.39 Joback Calculated Property
Cp,gas 685.86 J/mol×K 990.25 Joback Calculated Property

Similar Compounds

Succinic acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-acetylphenyl ester. Glutaric acid, 4-cyanophenyl ethyl ester. Glutaric acid, 4-bromophenyl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methoxyphenyl ester. Glutaric acid, 4-cyanophenyl propyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-fluorophenyl ester. Glutaric acid, 3-methylbut-2-yl 4-cyanophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-chlorophenyl ester. Glutaric acid, 2-fluorophenyl 1,1,1-trifluoroprop-2-yl ester. Glutaric acid, 4-cyanophenyl isobutyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester. Glutaric acid, butyl 4-cyanophenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-nitrophenyl ester.

Find more compounds similar to Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-cyanophenyl 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.