Chemical Properties of Demeton-O-oa

InChI

InChI=1S/C8H19O4PS/c1-4-10-13(9,11-5-2)12-7-8-14-6-3/h4-8H2,1-3H3

InChI Key

NMQDGOQOOUKIGM-UHFFFAOYSA-N

Formula

C8H19O4PS

SMILES

CCOP(=O)(OCC)OCCSCC

Molecular Weight¹

242.27

Other Names

• demeton oxon
• Demeton-O, oxygen 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	0.5586		Relay (... Calculated Property
ΔfG°	-421.37	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-836.80	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.86	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-0.55		Relay (... Calculated Property
logPoct/wat	2.937		Crippen Calculated Property
McVol	183.870	ml/mol	McGowan Calculated Property
Pc	2155.62	kPa	Relay (... Calculated Property ⚠️
Inp	[1550.00; 1593.00]
Inp	1550.00		NIST
Inp	1585.00		NIST
Inp	1593.00		NIST
Tboil	566.20	K	Relay (... Calculated Property
Tc	693.69	K	Relay (... Calculated Property
Tfus	205.98	K	Relay (... Calculated Property
Vc	0.685	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Demeton-O-oa.

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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