Chemical Properties of Phoratoxon sulfone (CAS 2588-06-9)

InChI

InChI=1S/C7H17O5PS2/c1-4-11-13(8,12-5-2)14-7-15(9,10)6-3/h4-7H2,1-3H3

InChI Key

IIMUEPCADBPEMF-UHFFFAOYSA-N

Formula

C7H17O5PS2

SMILES

CCOP(=O)(OCC)SCS(=O)(=O)CC

Molecular Weight¹

276.31

CAS

2588-06-9

Other Names

• Phosphorothioic acid, O,O-diethyl S-[(ethylsulfonyl)methyl] ester
• O,O-Diethyl S-(ethylsulfonyl)methyl phosphorothioate
• Phorate oxon sulfone
• PO-Phorate sulfone
• Diethyl S-ethsulfonylmethyl thiophosphate
• Phorate, O-analog sulfone

• 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).
• 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

Similar Compounds

Find more compounds similar to Phoratoxon 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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