Chemical Properties of Cyclohexyl methylphosphonothionofluoridate (CAS 4241-34-3)

InChI

InChI=1S/C7H14FOPS/c1-10(8,11)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChI Key

PZXWAMVRPZGTDV-UHFFFAOYSA-N

Formula

C7H14FOPS

SMILES

CP(F)(=S)OC1CCCCC1

Molecular Weight¹

196.22

CAS

4241-34-3

• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	9.13	eV	Relay (1.0) Calculated Property
logPoct/wat	3.244		Crippen Calculated Property
McVol	143.080	ml/mol	McGowan Calculated Property
Inp	[1250.00; 1250.00]
Inp	1250.00		NIST
Inp	1250.00		NIST
Inp	1250.00		NIST
Tboil	498.82	K	Relay (1.0) Calculated Property
Tfus	239.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Similar Compounds

Find more compounds similar to Cyclohexyl methylphosphonothionofluoridate.

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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