Chemical Properties of 2-Fluorobenzyl isothiocyanate (CAS 64382-80-5)

InChI

InChI=1S/C8H6FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

InChI Key

HHJNPMOABDDXEL-UHFFFAOYSA-N

Formula

C8H6FNS

SMILES

Fc1ccccc1CN=C=S

Molecular Weight¹

167.20

CAS

64382-80-5

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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.

Similar Compounds

Find more compounds similar to 2-Fluorobenzyl isothiocyanate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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