Chemical Properties of Dioxathion (CAS 78-34-2)

InChI

InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3

InChI Key

VBKKVDGJXVOLNE-UHFFFAOYSA-N

Formula

C12H26O6P2S4

SMILES

CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC

Molecular Weight¹

456.54

CAS

78-34-2

Other Names

• 1,4-Diossan-2,3-diyl-bis(O,O-dietil-ditiofosfato)
• 1,4-Dioxaan-2,3-diyl-bis(O,O-diethyl-dithiofosfaat)
• 1,4-Dioxan-2,3-Diyl bis(O,O-diethyl phosphorothiolothionate)
• 1,4-Dioxan-2,3-diyl O,O,O',O'-tetraethyl di(phosphoromithioate)
• 1,4-Dioxan-2,3-diyl bis(O,O-diethyl phosphorodithioate)
• 1,4-Dioxan-2,3-diyl-bis(O,O-diaethyl-dithiophosphat)
• 2,3-Bis(diethoxyphosphinothioylthio)-1,4-dioxane
• 2,3-P-Dioxan-S,S'-bis(O,O-diaethyldithiophosphat)
• 2,3-p-Dioxandithiol S,S-bis(O,O-diethyl phosphorodithioate)
• 2,3-p-Dioxane S,S'-bis(O,O-diethyl phosphorodithioate)
• 2,3-p-Dioxane S,S-bis(O,O-diethylphosphorodithioate)
• 2,3-p-Dioxanedithiol S,S-bis(O,O-diethyl phosphorodithioate)
• A mixture consisting essentially of cis- and trans-S,S'-5,5'-p-dioxane-2,3-diyl bis(O,O-diethyl phosphorodithioate)
• AC 528
• Bis(dithiophosphate de O,O-diethyle) de S,S'-(1,4-dioxanne-2,3-diyle)
• Delnatex
• Delnav
• Delnav I
• Delnav II
• Deltic
• Dioxane phosphate
• Dioxation
• ENT 22,897
• ENT 22897
• Hercules 528
• Hercules ac528
• Kavadel
• NCI-C00395
• Navadel
• Phosphorodithioic acid, S,S'-1,4-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester
• Phosphorodithioic acid, S,S'-p-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester
• Ruphos
• S,S'-1,4-Dioxane-2,3-diyl O,O,o',o'-tetraethyl bis(dithiophosphate)
• p-Dioxane-2,3-dithiol, S,S-diester with O,O-diethyl phosphorodithioate
• p-Dioxane-2,3-diyl ethyl phosphorodithioate

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-5.30		Relay (1.0) Calculated Property
logPoct/wat	4.747		Crippen Calculated Property
McVol	310.620	ml/mol	McGowan Calculated Property
Inp	[1742.00; 1775.00]
Inp	1758.00		NIST
Inp	1775.00		NIST
Inp	1775.00		NIST
Inp	1758.00		NIST
Inp	1763.00		NIST
Inp	1751.40		NIST
Inp	1742.00		NIST
Inp	1742.00		NIST
Tfus	253.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 Dioxathion.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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