Chemical Properties of Ditalimfos

InChI

InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3

InChI Key

MTBZIGHNGSTDJV-UHFFFAOYSA-N

Formula

C12H14NO4PS

SMILES

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

Molecular Weight¹

299.29

Other Names

• Diethyl phthalimidophosphonothioate
• Ditalimphos
• Dowco 199
• Laptran
• M 2452
• Millie
• O 199
• O,O-Diaethyl-N-phtalimido-thiophosphat
• O,O-Diethyl (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phosphonothioate
• O,O-Diethyl phthalimidophosphonothioate
• O,O-Diethyl phthalimidophosphonothionate
• O,O-Diethyl phthalimidothiophosphate
• Ortho 199
• Phosphonothioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, O,O-diethyl ester
• Phosphonothioic acid, phthalimido-, O,O-diethyl ester
• Phthalimide, N-(diethoxyphosphinothioyl)-
• Plondrel
• RE 199
• SF 101

• Δ_fH°_gas : Enthalpy of formation 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).
• I_np : Non-polar retention indices.
• 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
ΔfH°gas	-559.80	kJ/mol	Relay (1.0) Calculated Property
IE	8.89	eV	Relay (1.0) Calculated Property
log10WS	[-3.35; -3.35]
log10WS	-3.35		Aq. Solubility Prediction
log10WS	-3.35		Estimated Solubility
logPoct/wat	2.580		Crippen Calculated Property
McVol	206.990	ml/mol	McGowan Calculated Property
Inp	[2128.00; 2137.00]
Inp	2128.00		NIST
Inp	2137.00		NIST
Inp	2128.00		NIST
Tboil	649.58	K	Relay (1.0) Calculated Property
Tfus	357.88 ± 0.20	K	NIST

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization 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 Ditalimfos.

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

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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