Chemical Properties of Dialifor (CAS 10311-84-9)

InChI

InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3

InChI Key

MUMQYXACQUZOFP-UHFFFAOYSA-N

Formula

C14H17ClNO4PS2

SMILES

CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O

Molecular Weight¹

393.85

CAS

10311-84-9

Other Names

• 2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione
• Dialifos
• Dialiphor
• Dialiphos
• ENT 27320
• Hercules 14503
• O,O-Diaethyl-S-2-chlor-1-(phthalimido)-aethyl-dithiophosphat
• O,O-Diethyl S-(2-chloro-1-phthalimidoethyl)phosphorodithioate
• Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-(2-chloro-1-mercaptoethyl)phthalimide
• Phosphorodithioic acid, S-(2-chloro-1-phthalimidoethyl) O,O-diethyl ester
• Phosphorodithioic acid, S-[2-chloro-1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl] O,O-diethyl ester
• S-(2-Chloro-1-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl)O,O-diethyl phosphorodithioate
• S-(2-Chloro-1-phthalimidoethyl) O,O-diethyl phosphorodithioate
• Torak

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-6.34; -6.03]
log10WS	-6.03		Aq. Solubility Prediction
log10WS	-6.34		Estimated Solubility
logPoct/wat	3.878		Crippen Calculated Property
McVol	263.760	ml/mol	McGowan Calculated Property
Inp	2553.00		NIST
Tfus	341.23 ± 0.20	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Dialifor.

Sources

• 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
• Aqueous Solubility Prediction Method
• Estimated Solubility 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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