Chemical Properties of O,S-Diethyl methylphosphonothioate (CAS 2511-10-6)

InChI

InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3

InChI Key

AIMOGGQLCCAPQJ-UHFFFAOYSA-N

Formula

C5H13O2PS

SMILES

CCOP(C)(=O)SCC

Molecular Weight¹

168.19

CAS

2511-10-6

Other Names

• Phosphonothioic acid, methyl-, O,S-diethyl ester
• O,S-Diethyl methylthiophosphonate
• OSDMP
• LG 61
• Methylphosphonothioic acid O,S-diethyl ester
• O-Ethyl S-ethyl methylphosphonothioate
• Phosphonothioic acid, methyl, diethyl ester
• Phosphonothioic acid, P-methyl-, O,S-diethyl ester
• O,S-Diethyl methylphosphonothiolate
• Methylthiophosphonic acid, O,S-diethyl ester

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	57.24	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-0.91		Relay (1.0) Calculated Property
logPoct/wat	2.599		Crippen Calculated Property
McVol	129.860	ml/mol	McGowan Calculated Property
Inp	[1139.00; 1174.00]
Inp	1174.00		NIST
Inp	1139.00		NIST
Inp	1174.00		NIST
Inp	1174.00		NIST
Tboil	498.95	K	Relay (1.0) Calculated Property
Tfus	230.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to O,S-Diethyl methylphosphonothioate.

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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