Chemical Properties of Ethion (CAS 563-12-2)

InChI

InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

InChI Key

RIZMRRKBZQXFOY-UHFFFAOYSA-N

Formula

C9H22O4P2S4

SMILES

CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

Molecular Weight¹

384.48

CAS

563-12-2

Other Names

• AC 3422
• Bis(S-(diethoxyphosphinothioyl)mercapto)methane
• Diethion
• ENT 24,105
• Embathion
• Ethanox
• Ethiol
• Ethiol 100
• Ethodan
• Ethopaz
• Ethyl methylene phosphorodithioate
• Ethyl methylene phosphorodithioate ([(EtO)2P(S)S]2CH2)
• FMC-1240
• Fosfatox E
• Fosfono 50
• Hylemax
• Hylemox
• Itopaz
• Kwit
• Methyleen-S,S'-bis(O,O-diethyl-dithiofosfaat)
• Methylene-S,S'-bis(O,O-diaethyl-dithiophosphat)
• NA 2783
• NIA 1240
• Niagara 1240
• Nialate
• O,O,O',O'-Tetraaethyl-bis(dithiophosphat)
• O,O,O',O'-Tetraethyl S,S'-Methylene bisphosphorodithioate
• O,O,O',O'-Tetraethyl S,S'-methylenebisphosphordithioate
• O,O,O',O'-Tetraethyl-S,S'-methylene di(phosphorodithioate)
• Phosphorodithioic acid, O,O-diethyl ester, S,S-diester with methanedithiol
• Phosphorodithioic acid, S,S'-methylene O,O,O',O'-tetraethyl ester
• Phosphotox E
• RP 8167
• RP-Thion
• Rhodocide
• Rodocid
• Rodocide
• S,S'-Methylen-bis(O,O-diaethyl-dithiophosphat)
• S,S'-Methylene O,O,O',O'-tetraethyl phosphorodithioate
• Tetraethyl S,S'-methylene bis(phosphorothiolothionate)
• Vegfru-fosmite

• 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.
• I : Polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	81.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.17	eV	Relay (1.0) Calculated Property
log10WS	[-5.54; -5.54]
log10WS	-5.54		Aq. Solubility Prediction
log10WS	-5.54		Estimated Solubility
logPoct/wat	5.005		Crippen Calculated Property
McVol	267.470	ml/mol	McGowan Calculated Property
Inp	[2210.00; 2297.00]
Inp	2210.00		NIST
Inp	2265.00		NIST
Inp	2232.00		NIST
Inp	2220.00		NIST
Inp	Outlier 2297.00		NIST
Inp	2220.00		NIST
Inp	2223.00		NIST
Inp	2221.00		NIST
Inp	2223.00		NIST
Inp	2220.00		NIST
Inp	2210.00		NIST
Inp	2281.00		NIST
Inp	2279.00		NIST
Inp	2210.00		NIST
Inp	2265.00		NIST
Inp	2220.00		NIST
Inp	2265.00		NIST
Inp	2232.00		NIST
Inp	2223.00		NIST
Inp	2220.00		NIST
I	[3181.00; 3181.00]
I	3181.00		NIST
I	3181.00		NIST
Tfus	240.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 Ethion.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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