Chemical Properties of Phosphorochloridothioic acid, O,O-diethyl ester (CAS 2524-04-1)

InChI

InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3

InChI Key

KMJJJTCKNZYTEY-UHFFFAOYSA-N

Formula

C4H10ClO2PS

SMILES

CCOP(=S)(Cl)OCC

Molecular Weight¹

188.61

CAS

2524-04-1

Other Names

• Diethoxythiophosphoryl chloride
• Diethyl chlorothiophosphate
• Diethyl phosphorochloridothioate
• Diethyl phosphorochloridothionate
• Diethyl phosphorochlorothioate
• Diethyl phosphorothiochloridate
• Diethyl thiophosphoric chloride
• Diethyl thiophosphoryl chloride
• Diethylthiophosphoric acid chloride
• O,O-Diethyl chloridophosphorothioate
• O,O-Diethyl chloridothionophosphate
• O,O-Diethyl chlorothionophosphate
• O,O-Diethyl chlorothiophosphate
• O,O-Diethyl chlorothiophosphonate
• O,O-Diethyl phosphorochloridothioate
• O,O-Diethyl phosphorochlorothioate
• O,O-Diethyl phosphorothiochloridate
• O,O-Diethyl phosphorothionochloridate
• O,O-Diethyl thionophosphoric acid ester chloride
• O,O-Diethyl thionophosphoric chloride
• O,O-Diethyl thionophosphoryl chloride
• O,O-Diethyl thiophosphorochloridate
• O,O-Diethyl thiophosphoryl chloride
• O,O-Diethyl thiophosphoric acid chloride
• Diethyl phosphorothionochloridate
• Diethylchlorthiofosfat
• Ethyl pct
• O,O-Diethyl thionophosphorochloridate
• O,O-Diethylester kyseliny chlorthiofosforecne
• Phosphonothioic acid, chloro-, O,O-diethyl ester
• UN 2751
• O,O-Diethylchlorothiophosphidate
• NSC 43776
• Phosphorochloridothioic 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°	58.66	kJ/mol	Relay (1.0) Calculated Property
IE	[8.80; 9.41]	eV
IE	8.80	eV	NIST
IE	8.83 ± 0.02	eV	NIST
IE	9.31	eV	NIST
IE	9.41	eV	NIST
IE	9.41	eV	NIST
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	2.523		Crippen Calculated Property
McVol	128.010	ml/mol	McGowan Calculated Property
Tboil	480.26	K	Relay (1.0) Calculated Property
Tfus	202.71	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 Phosphorochloridothioic 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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