Chemical Properties of O-Ethyl S-nonyl methylphosphonothiolate

InChI

InChI=1S/C12H27O2PS/c1-4-6-7-8-9-10-11-12-16-15(3,13)14-5-2/h4-12H2,1-3H3

InChI Key

AMXPHGZPXNYMOA-UHFFFAOYSA-N

Formula

C12H27O2PS

SMILES

CCCCCCCCCSP(C)(=O)OCC

Molecular Weight¹

266.39

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	83.42	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.51		Relay (1.0) Calculated Property
logPoct/wat	5.330		Crippen Calculated Property
McVol	228.490	ml/mol	McGowan Calculated Property
Inp	[1872.00; 1872.00]
Inp	1872.00		NIST
Inp	1872.00		NIST
Inp	1872.00		NIST
Tboil	588.91	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, 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 S-nonyl methylphosphonothiolate.

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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