Chemical Properties of 4-Chlorobenzyl alcohol, pentafluoropropionate (CAS 958997-71-2)

4-Chlorobenzyl alcohol, pentafluoropropionate

InChI
InChI=1S/C10H6ClF5O2/c11-7-3-1-6(2-4-7)5-18-8(17)9(12,13)10(14,15)16/h1-4H,5H2
InChI Key
YNOUQZHJUWTECY-UHFFFAOYSA-N
Formula
C10H6ClF5O2
SMILES
O=C(OCc1ccc(Cl)cc1)C(F)(F)C(F)(F)F
Molecular Weight1
288.60
CAS
958997-71-2
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 24.45 kJ/mol Joback Calculated Property
logPoct/wat 3.581 Crippen Calculated Property
McVol 156.530 ml/mol McGowan Calculated Property
Inp [1193.00; 1193.00]   Show Hide
Inp 1193.00 NIST
Inp 1193.00 NIST
Tboil 472.81 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, 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 [371.07; 427.21] J/mol×K [545.60; 735.96] Show Hide
Cp,gas 371.07 J/mol×K 545.60 Joback Calculated Property
Cp,gas 382.46 J/mol×K 577.33 Joback Calculated Property
Cp,gas 392.98 J/mol×K 609.05 Joback Calculated Property
Cp,gas 402.67 J/mol×K 640.78 Joback Calculated Property
Cp,gas 411.57 J/mol×K 672.51 Joback Calculated Property
Cp,gas 419.74 J/mol×K 704.23 Joback Calculated Property
Cp,gas 427.21 J/mol×K 735.96 Joback Calculated Property

Similar Compounds

4-Chlorobenzyl alcohol, heptafluorobutyrate. 2,4-Dichlorobenzyl alcohol, pentafluoropropionate. Trifluoroacetic acid, 4-chlorobenzyl ester. 4-Bromobenzyl alcohol, pentafluoropropionate. 2,5-Dichlorobenzyl alcohol, pentafluoropropionate. 2,4-Dichlorobenzyl alcohol, heptafluorobutyrate. Benzyl alcohol, heptafluorobutyrate. 4-Bromobenzyl alcohol, heptafluorobutyrate. 4-Hydroxybenzyl alcohol, bis(pentafluoropropionate). 2,6-Dichlorobenzyl alcohol, pentafluoropropionate. Succinic acid, di(4-chlorobenzyl) ester. 2,5-Dichlorobenzyl alcohol, heptafluorobutyrate. 2,4-Dichlorobenzyl alcohol, trifluoroacetate. 2,4-Dichlorobenzyl alcohol, chlorodifluoroacetate. Acetoxyacetic acid, (4-chlorophenyl)methyl ester.

Find more compounds similar to 4-Chlorobenzyl alcohol, pentafluoropropionate.

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.