Chemical Properties of S-Isobutyl, S-2-(2-(2-diethylaminoethylthio)ethylthio))ethyl methyldithiophosphonate

InChI

InChI=1S/C14H32NOPS4/c1-6-15(7-2)13-19-9-8-18-10-11-20-17(5,16)21-12-14(3)4/h14H,6-13H2,1-5H3

InChI Key

GOFWDHPWQQVCTF-UHFFFAOYSA-N

Formula

C14H32NOPS4

SMILES

CCN(CC)CSCCSCCSP(C)(=O)SCC(C)C

Molecular Weight¹

389.64

• 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	0.6149		Relay (... Calculated Property
ΔfG°	9.40	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-390.23	kJ/mol	Relay (... Calculated Property
ΔvapH°	100.64	kJ/mol	Relay (... Calculated Property
IE	8.04	eV	Relay (... Calculated Property
log10WS	-3.62		Relay (... Calculated Property
logPoct/wat	5.697		Crippen Calculated Property
McVol	309.830	ml/mol	McGowan Calculated Property
Pc	1513.10	kPa	Relay (... Calculated Property ⚠️
Inp	[2636.00; 2636.00]
Inp	2636.00		NIST
Inp	2636.00		NIST
Tboil	678.06	K	Relay (... Calculated Property
Tc	854.38	K	Relay (... Calculated Property
Tfus	264.37	K	Relay (... Calculated Property
Vc	1.052	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to S-Isobutyl, S-2-(2-(2-diethylaminoethylthio)ethylthio))ethyl methyldithiophosphonate.

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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