Chemical Properties of Phosphorodithioic acid, O,O-diethyl ester (CAS 298-06-6)

InChI

InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)

InChI Key

IRDLUHRVLVEUHA-UHFFFAOYSA-N

Formula

C4H11O2PS2

SMILES

CCOP(=S)(S)OCC

Molecular Weight¹

186.23

CAS

298-06-6

Other Names

• Di-O-ethyl dithiophosphate
• Diethyl dithiophosphate
• Diethyl ester of phosphorodithioic acid
• Diethyl phosphorodithioate
• Dithiophosphoric acid, O,O-diethyl ester
• Kyselina O,O-diethyldithiofosforecna
• NSC 171184
• O,O'-Diethyl dithiophosphate
• O,O'-Diethyl hydrogen dithiophosphate
• O,O-Diethyl dithiophosphate
• O,O-Diethyl dithiophosphoric acid
• O,O-Diethyl dithiophosphoric acid ester
• O,O-Diethyl hydrogen phosphorodithioate
• O,O-Diethyl phosphorodithioic acid
• O,O-Diethyl thiolothionophosphate
• O,O-Diethyl-S-hydrogen phosphorodithioate
• O,O-Diethylphosphorodithioate
• Phosphorodithioic acid, O,O'-diethyl ester
• Phosphorothiothionic acid, O,O-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).
• 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°	67.70	kJ/mol	NIST
IE	[8.30; 9.14]	eV
IE	8.30	eV	NIST
IE	9.14	eV	NIST
IE	9.10	eV	NIST
log10WS	-3.28		Relay (1.0) Calculated Property
logPoct/wat	2.214		Crippen Calculated Property
McVol	132.120	ml/mol	McGowan Calculated Property
Tboil	504.20	K	Relay (1.0) Calculated Property
Tfus	238.87	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 Phosphorodithioic acid, O,O-diethyl 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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