Chemical Properties of Demeton-O

InChI

InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3

InChI Key

DGLIBALSRMUQDD-UHFFFAOYSA-N

Formula

C8H19O3PS2

SMILES

CCOP(=S)(OCC)OCCSCC

Molecular Weight¹

258.35

Other Names

• Demethon-O
• Demeton thiono
• Demeton-O
• Demetonthione
• Di-Septon
• Diaethylthiophosphorsaeureester des aethylthioglykol
• Diethyl (2-(eththio)ethyl) thionophosphate
• Diethyl (2-(ethylthio)ethyl) phosphorothionate
• Ethanol, 2-(ethylthio)-, O-ester with O,O-diethyl phosphorothioate
• NSC 8928
• O,O-Diethyl O-2-(ethylthio)ethyl phosphorothioate
• O,O-Diethyl O-[2-(ethylthio)ethyl] phosphorothionate
• O,O-diethyl-O-[2-(ethylthio)ethyl] thiophosphate
• Phosphorothioic acid, O,O-diethyl ester O-[2-(ethylthio)ethyl] ester
• Thiolmecaptophos

• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	78.70	kJ/mol	NIST
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	3.054		Crippen Calculated Property
McVol	194.350	ml/mol	McGowan Calculated Property
Inp	[1598.00; 1621.00]
Inp	1598.00		NIST
Inp	1621.00		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, 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.

Similar Compounds

Find more compounds similar to Demeton-O.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.