Chemical Properties of Phosphorodithioic acid, O,S,S-trimethyl ester (CAS 22608-53-3)

InChI

InChI=1S/C3H9O2PS2/c1-5-6(4,7-2)8-3/h1-3H3

InChI Key

NIJIQSOYZWDHAQ-UHFFFAOYSA-N

Formula

C3H9O2PS2

SMILES

COP(=O)(SC)SC

Molecular Weight¹

172.21

CAS

22608-53-3

Other Names

• O,S,S-Trimethyl phosphorodithioate

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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 Phosphorodithioic acid, O,S,S-trimethyl ester.

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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