Chemical Properties of O,O,O-TRIETHYL PHOSPHOROTHIONATE

InChI

InChI=1S/C6H15O3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3

InChI Key

QTPJMTACJMLPLL-UHFFFAOYSA-N

Formula

C6H15O3PS

SMILES

CCOP(=S)(OCC)OCC

Molecular Weight¹

198.22

Other Names

• Triethylphosphorothioate
• (C2H5O)3PS
• Phosphorothioic acid, O,O,O-triethyl ester
• Ethyl phosphorothioate ((EtO)3PS)
• O,O,O-Triethyl phosphorothioate
• O,O,O-Triethylester kyseliny thiofosforecne
• O,O',O''-Triethyl phosphorothioate
• Phosphine sulfide, triethoxy-
• Thiophosphoric acid, tri-O-ethyl ester
• Triethyl phosphorothionate
• Triethyl thiophosphate
• Triethylthiofosfat
• O,O,O-Triethylthiofosfat
• Ethyl thiophosphate, (C2H5O)3PS
• NSC 2650

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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
ΔvapH°	60.71	kJ/mol	Relay (1.0) Calculated Property
IE	[8.49; 8.96]	eV
IE	8.49 ± 0.02	eV	NIST
IE	8.96	eV	NIST
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	2.320		Crippen Calculated Property
McVol	149.820	ml/mol	McGowan Calculated Property
Tboil	509.88	K	Relay (1.0) Calculated Property
Tfus	211.36	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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

Similar Compounds

Find more compounds similar to O,O,O-TRIETHYL PHOSPHOROTHIONATE.

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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