Chemical Properties of Disulfoton sulfone (CAS 2497-06-5)

InChI

InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3

InChI Key

BKVJOVPVLOJPKJ-UHFFFAOYSA-N

Formula

C8H19O4PS3

SMILES

CCOP(=S)(OCC)SCCS(=O)(=O)CC

Molecular Weight¹

306.40

CAS

2497-06-5

Other Names

• Phosphorodithioic acid, O,O-diethyl S-[2-(ethylsulfonyl)ethyl] ester
• Disyston sulfone
• Ethanethiol, 2-(ethylsulfonyl)-, S-ester with O,O-diethyl phosphorodithioate
• O,O-Diethyl S-(2-ethylsulfonylethyl) phosphorodithioate
• O,O-Diethyl S-(2-ethylsulfonylethyl) thionophosphate
• Phosphorodithioic acid, O,O-diethyl ester S-[2-(ethylsulfonyl)ethyl] ester
• O,O-Diethyl S-(2-ethsulfonylethyl) phosphorodithioate
• O,O-Diethyl S-(2-ethsulfonylethyl) thiothionophosphate
• O,O-Diethyl S-[2-(ethylsulfonyl)ethyl] dithiophosphate

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5668		Relay (1.0) Calculated Property
ΔfG°	-426.14	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-740.09	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.452		Crippen Calculated Property
McVol	216.570	ml/mol	McGowan Calculated Property
Pc	2175.22	kPa	Relay (1.0-beta) Calculated Property
Inp	[2077.00; 2077.00]
Inp	2077.00		NIST
Inp	2077.00		NIST
Tboil	645.81	K	Relay (1.0) Calculated Property
Tc	830.02	K	Relay (1.0) Calculated Property
Tfus	293.52	K	Relay (1.0) Calculated Property
Vc	0.748	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Disulfoton sulfone.

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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