Chemical Properties of Oxydemeton-methyl M (probably O-analog)

InChI

InChI=1S/C6H15O5PS/c1-4-13(8)6-5-11-12(7,9-2)10-3/h4-6H2,1-3H3

InChI Key

AJSIYPSFUJBPMF-UHFFFAOYSA-N

Formula

C6H15O5PS

SMILES

CCS(=O)CCOP(=O)(OC)OC

Molecular Weight¹

230.22

• 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	0.5429		Relay (... Calculated Property
ΔfG°	-461.44	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-910.90	kJ/mol	Relay (... Calculated Property
ΔvapH°	86.61	kJ/mol	Relay (... Calculated Property
IE	9.45	eV	Relay (... Calculated Property
log10WS	1.30		Relay (... Calculated Property
logPoct/wat	1.173		Crippen Calculated Property
McVol	161.560	ml/mol	McGowan Calculated Property
Pc	2549.13	kPa	Relay (... Calculated Property ⚠️
Inp	[1568.00; 1613.00]
Inp	1568.00		NIST
Inp	1585.00		NIST
Inp	1613.00		NIST
Inp	1568.00		NIST
Tboil	573.76	K	Relay (... Calculated Property
Tc	747.36	K	Relay (... Calculated Property
Tfus	287.26	K	Relay (... Calculated Property
Vc	0.603	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Oxydemeton-methyl M (probably O-analog).

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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