Chemical Properties of Pentafluorobenzoic acid, 3-chloroprop-2-enyl ester

Pentafluorobenzoic acid, 3-chloroprop-2-enyl ester

InChI
InChI=1S/C10H4ClF5O2/c11-2-1-3-18-10(17)4-5(12)7(14)9(16)8(15)6(4)13/h1-2H,3H2/b2-1+
InChI Key
LAYNCYUILTUINL-OWOJBTEDSA-N
Formula
C10H4ClF5O2
SMILES
O=C(OCC=CCl)c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
286.58
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 36.34 kJ/mol Joback Calculated Property
IE 9.80 eV Relay (1.0) Calculated Property
logPoct/wat 3.291 Crippen Calculated Property
McVol 152.230 ml/mol McGowan Calculated Property
Inp [1341.00; 1341.00]   Show Hide
Inp 1341.00 NIST
Inp 1341.00 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 [343.12; 387.22] J/mol×K [594.01; 778.16] Show Hide
Cp,gas 343.12 J/mol×K 594.01 Joback Calculated Property
Cp,gas 351.48 J/mol×K 624.70 Joback Calculated Property
Cp,gas 359.43 J/mol×K 655.39 Joback Calculated Property
Cp,gas 366.97 J/mol×K 686.08 Joback Calculated Property
Cp,gas 374.11 J/mol×K 716.78 Joback Calculated Property
Cp,gas 380.86 J/mol×K 747.47 Joback Calculated Property
Cp,gas 387.22 J/mol×K 778.16 Joback Calculated Property

Similar Compounds

Pentafluorobenzoic acid, pent-2-en-4-ynyl ester. (E)-2-butenyl pentaflurobenzoate. 2-butenyl pentaflurobenzoate. Pentafluorobenzoic acid, ethyl ester. 3-Methylbut-2-en-1-yl 2,3,4,5,6-pentafluorobenzoate. 2,3,4-trifluorobenzoic acid, 3-chloroprop-2-enyl ester. Ethane-1,2-diyl bis(2,3,4,5,6-pentafluorobenzoate). 2,2-Dichloroethyl 2,3,4,5,6-pentafluorobenzoate. Prop-2-ynyl 2,3,4,5,6-pentafluorobenzoate. 2-Methoxyethyl 2,3,4,5,6-pentafluorobenzoate. 2,6-Difluorobenzoic acid, 3-chloroprop-2-enyl ester. Pentafluorobenzoic acid, 2,2,2-trichloroethyl ester. Oxybis(ethane-2,1-diyl) bis(2,3,4,5,6-pentafluorobenzoate). Pentafluorobenzoic acid, propyl ester. Pentafluorobenzoic acid, 2-methylpropyl ester.

Find more compounds similar to Pentafluorobenzoic acid, 3-chloroprop-2-enyl 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.