Chemical Properties of o-(4-Bromo-2,5-dichlorophenyl) o-methyl phenylphosphonothioate

InChI

InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3

InChI Key

CVRALZAYCYJELZ-UHFFFAOYSA-N

Formula

C13H10BrCl2O2PS

SMILES

COP(=S)(Oc1cc(Cl)c(Br)cc1Cl)c1ccccc1

Molecular Weight¹

412.07

Other Names

• (.+/-.)-Leptophos
• Abar
• Fosvel
• K62-105
• MBCP
• NK 711
• O-(2,5-Dichloro-4-bromophenyl) O-methyl phenylthiophosphonate
• O-Methyl O-2,5-dichloro-4-bromophenyl phenylthiophosphonate
• O-Methyl-O-(4-bromo-2,5-dichlorophenyl)phenyl thiophosphonate
• OMS 1438
• Oleophosvel
• Phenylphosphonothioic acid O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
• Phosphonothioic acid, phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester
• Phosvel
• VCS 506
• Velsicol 506
• Velsicol VCS 506
• leptophos

• 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	-5.66		Aq. Solubility Prediction
logPoct/wat	5.416		Crippen Calculated Property
McVol	237.040	ml/mol	McGowan Calculated Property
Inp	[2486.00; 2495.00]
Inp	2495.00		NIST
Inp	2486.00		NIST
Inp	2495.00		NIST
Inp	2486.00		NIST
Tfus	[343.55; 347.14]	K
Tfus	343.55	K	Aq. Solubility Prediction
Tfus	347.14 ± 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

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[31.35; 31.35]	kJ/mol	[345.60; 345.60]
ΔfusH	31.35	kJ/mol	345.60	NIST
ΔfusH	31.35	kJ/mol	345.60	NIST

Similar Compounds

Find more compounds similar to o-(4-Bromo-2,5-dichlorophenyl) o-methyl phenylphosphonothioate.

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
• 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.