Chemical Properties of Phosphoric acid, dimethyl 3-methyl-4-(methylthio)phenyl ester (CAS 6552-12-1)

InChI

InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3

InChI Key

ZNRZGJAHNMGWQN-UHFFFAOYSA-N

Formula

C10H15O4PS

SMILES

COP(=O)(OC)Oc1ccc(SC)c(C)c1

Molecular Weight¹

262.26

CAS

6552-12-1

Other Names

• Fenthion O-analog
• Bayoxon
• m-Cresol, 4-(methylthio)-, dimethyl phosphate
• Fenoxon
• Fenthion oxon
• Phosphoric acid, dimethyl 4-(methylthio)-m-tolyl ester
• BAY 35570
• Bayer 35570
• Dimethyl 3-methyl-4-(methylthio)phenyl phosphate
• Dimethyl 4-(methylthio)-m-tolyl phosphate
• ENT 25564
• Fenthoxon

• 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 Phosphoric acid, dimethyl 3-methyl-4-(methylthio)phenyl 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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