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

• 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_fusH : Enthalpy of fusion at a given temperature (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	0.6868		Relay (1.0) Calculated Property
ΔfG°	-270.16	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-613.04	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.66	kJ/mol	Relay (1.0) Calculated Property
IE	8.93	eV	Relay (1.0) Calculated Property
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
Pc	1673.78	kPa	Relay (1.0-beta) Calculated Property
Inp	2553.00		NIST
Tboil	694.52	K	Relay (1.0) Calculated Property
Tc	957.84	K	Relay (1.0) Calculated Property
Tfus	341.23 ± 0.20	K	NIST
Vc	0.912	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Dialifor.

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
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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