Chemical Properties of Diazoxon (CAS 962-58-3)

InChI

InChI=1S/C12H21N2O4P/c1-6-16-19(15,17-7-2)18-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3

InChI Key

VBLJFQYCTRKKKF-UHFFFAOYSA-N

Formula

C12H21N2O4P

SMILES

CCOP(=O)(OCC)Oc1cc(C)nc(C(C)C)n1

Molecular Weight¹

288.28

CAS

962-58-3

Other Names

• Phosphoric acid, diethyl 6-methyl-2-(1-methylethyl)-4-pyrimidinyl ester
• Phosphoric acid, diethyl 2-isopropyl-6-methyl-4-pyrimidinyl ester
• Diazinon oxon
• Oxodiazinon
• Diazinon O-analog

• 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	0.6915		Relay (1.0) Calculated Property
ΔfG°	-253.53	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-771.29	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	85.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-2.11		Relay (1.0) Calculated Property
logPoct/wat	3.468		Crippen Calculated Property
McVol	220.080	ml/mol	McGowan Calculated Property
Pc	1739.33	kPa	Relay (1.0-beta) Calculated Property
Inp	[1732.00; 1766.00]
Inp	1766.00		NIST
Inp	1732.00		NIST
Inp	1732.00		NIST
Inp	1766.00		NIST
Tboil	576.43	K	Relay (1.0) Calculated Property
Tc	772.79	K	Relay (1.0) Calculated Property
Tfus	305.19	K	Relay (1.0) Calculated Property
Vc	0.852	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Diazoxon.

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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