Chemical Properties of Isoxathion oxon

InChI

InChI=1S/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3

InChI Key

VLBRWDJSOHOVGF-UHFFFAOYSA-N

Formula

C13H16NO5P

SMILES

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

Molecular Weight¹

297.24

• 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	0.6982		Relay (1.0) Calculated Property
ΔfG°	-237.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-618.93	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.86	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	3.901		Crippen Calculated Property
McVol	210.600	ml/mol	McGowan Calculated Property
Pc	2023.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[2089.00; 2169.00]
Inp	2169.00		NIST
Inp	2089.00		NIST
Inp	2089.00		NIST
Tboil	642.34	K	Relay (1.0) Calculated Property
Tc	837.79	K	Relay (1.0) Calculated Property
Tfus	299.24	K	Relay (1.0) Calculated Property
Vc	0.824	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Isoxathion oxon.

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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