Chemical Properties of O-Ethyl-O-(2-chloro-1,1-difluoroethyl)ethanethiophosphonate

InChI

InChI=1S/C6H12ClF2O2PS/c1-3-10-12(13,4-2)11-6(8,9)5-7/h3-5H2,1-2H3

InChI Key

KWOFQUVNFMWBBI-UHFFFAOYSA-N

Formula

C6H12ClF2O2PS

SMILES

CCOP(=S)(CC)OC(F)(F)CCl

Molecular Weight¹

252.65

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.49		Relay (1.0) Calculated Property
logPoct/wat	3.200		Crippen Calculated Property
McVol	159.730	ml/mol	McGowan Calculated Property
Inp	[1223.00; 1223.00]
Inp	1223.00		NIST
Inp	1223.00		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 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 O-Ethyl-O-(2-chloro-1,1-difluoroethyl)ethanethiophosphonate.

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
• McGowan Method
• NIST Webbook

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