Chemical Properties of Isoxathion (CAS 18854-01-8)

InChI

InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChI Key

SDMSCIWHRZJSRN-UHFFFAOYSA-N

Formula

C13H16NO4PS

SMILES

CCOP(=S)(OCC)Oc1cc(-c2ccccc2)on1

Molecular Weight¹

313.31

CAS

18854-01-8

Other Names

• Phosphorothioic acid, O,O-diethyl O-(5-phenyl-3-isoxazolyl) ester
• O,O-Diethyl O-(5-phenyl-3-isoxazolyl) phosphorothioate
• O,O-Diethyl O-(3-(5-phenyl)-1,2-isoxazolyl)phosphorothionate
• E-48
• Karphos
• SI-6711
• O,O-Diethyl-O-(5-phenylisoxazol-3-yl) thiophosphate
• O,O-diethyl O-5-phenylisoxazol-3-ylphosphorothioate

• 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	0.6369		Relay (1.0) Calculated Property
ΔfG°	-106.84	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-403.90	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	101.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.43	eV	Relay (1.0) Calculated Property
log10WS	-4.96		Relay (1.0) Calculated Property
logPoct/wat	4.018		Crippen Calculated Property
McVol	221.080	ml/mol	McGowan Calculated Property
Pc	1983.07	kPa	Relay (1.0-beta) Calculated Property
Inp	[2145.00; 2168.00]
Inp	2168.00		NIST
Inp	2155.00		NIST
Inp	2160.00		NIST
Inp	2155.00		NIST
Inp	2145.00		NIST
Inp	2155.00		NIST
Inp	2160.00		NIST
Tboil	654.01	K	Relay (1.0) Calculated Property
Tc	857.95	K	Relay (1.0) Calculated Property
Tfus	285.03	K	Relay (1.0) Calculated Property
Vc	0.832	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Isoxathion.

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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