Chemical Properties of Methylthiophosphonic acid, O-ethyl, S-(8-diisopropylamino)-1,3,6-trithiaoctyl ester

InChI

InChI=1S/C14H32NO2PS4/c1-7-17-18(6,16)22-21-12-20-11-10-19-9-8-15(13(2)3)14(4)5/h13-14H,7-12H2,1-6H3

InChI Key

XFIORCMIGKMUNX-UHFFFAOYSA-N

Formula

C14H32NO2PS4

SMILES

CCOP(C)(=O)SSCSCCSCCN(C(C)C)C(C)C

Molecular Weight¹

405.64

• 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	0.6432		Relay (... Calculated Property
ΔfG°	-57.23	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-514.90	kJ/mol	Relay (... Calculated Property
ΔvapH°	99.22	kJ/mol	Relay (... Calculated Property
IE	7.81	eV	Relay (... Calculated Property
log10WS	-2.72		Relay (... Calculated Property
logPoct/wat	5.770		Crippen Calculated Property
McVol	315.700	ml/mol	McGowan Calculated Property
Pc	1462.59	kPa	Relay (... Calculated Property ⚠️
Inp	[2628.00; 2628.00]
Inp	2628.00		NIST
Inp	2628.00		NIST
Tboil	681.82	K	Relay (... Calculated Property
Tc	860.65	K	Relay (... Calculated Property
Tfus	265.24	K	Relay (... Calculated Property
Vc	1.068	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Methylthiophosphonic acid, O-ethyl, S-(8-diisopropylamino)-1,3,6-trithiaoctyl ester.

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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