Chemical Properties of Mesulfenfos (CAS 3761-41-9)

InChI

InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3

InChI Key

DLAPIMGBBDILHJ-UHFFFAOYSA-N

Formula

C10H15O4PS2

SMILES

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

Molecular Weight¹

294.33

CAS

3761-41-9

Other Names

• Phosphorothioic acid, O,O-dimethyl O-(4-(methylsulfinyl)-m-tolyl) ester
• O,O-Dimethyl O-(4-(methylsulfinyl)-m-tolyl) phosphorothioate
• O,O-Dimethyl O-((4-methylthio)-m-tolyl)phosphorothioate sulfoxide
• Fensulfoxide
• Fenthion sulfoxide
• Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylsulfinyl)phenyl) ester
• Mesulfenos
• Mesulfenphos

• 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	0.5690		Relay (... Calculated Property
ΔfG°	-250.02	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-550.30	kJ/mol	Relay (... Calculated Property
ΔvapH°	95.16	kJ/mol	Relay (... Calculated Property
IE	8.24	eV	Relay (... Calculated Property
log10WS	-3.15		Relay (... Calculated Property
logPoct/wat	2.629		Crippen Calculated Property
McVol	204.640	ml/mol	McGowan Calculated Property
Pc	2189.89	kPa	Relay (... Calculated Property ⚠️
Inp	[2210.00; 2305.50]
Inp	2305.50		NIST
Inp	2230.00		NIST
Inp	2210.00		NIST
Tboil	637.05	K	Relay (... Calculated Property
Tc	875.51	K	Relay (... Calculated Property
Tfus	327.72	K	Relay (... Calculated Property
Vc	0.725	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Mesulfenfos.

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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