Chemical Properties of o-Ethyl S-3-(dimethylamino)propyl methylphosphonothiolate

InChI

InChI=1S/C8H20NO2PS/c1-5-11-12(4,10)13-8-6-7-9(2)3/h5-8H2,1-4H3

InChI Key

FXODBLXYGRSKDR-UHFFFAOYSA-N

Formula

C8H20NO2PS

SMILES

CCOP(C)(=O)SCCCN(C)C

Molecular Weight¹

225.29

• 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	0.4990		Relay (1.0) Calculated Property
ΔfG°	-127.38	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-439.67	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	68.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.96	eV	Relay (1.0) Calculated Property
log10WS	-0.46		Relay (1.0) Calculated Property
logPoct/wat	2.531		Crippen Calculated Property
McVol	182.110	ml/mol	McGowan Calculated Property
Pc	2196.06	kPa	Relay (1.0-beta) Calculated Property
Inp	[1558.00; 1558.00]
Inp	1558.00		NIST
Inp	1558.00		NIST
Tboil	555.71	K	Relay (1.0) Calculated Property
Tc	699.00	K	Relay (1.0) Calculated Property
Tfus	261.00	K	Relay (1.0) Calculated Property
Vc	0.673	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to o-Ethyl S-3-(dimethylamino)propyl methylphosphonothiolate.

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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