(4-Chlorophenyl)(oxo)arsine
O=[As]c1ccc(Cl)cc1 CopyCopied
InChI=1S/C6H4AsClO/c8-6-3-1-5(7-9)2-4-6/h1-4H CopyCopied
JTEYEHMQBORHHC-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
(p-Chlorophenyl)oxoarsine
3134-98-3 [RN]
3-16-00-00959 (Beilstein Handbook Reference) [Beilstein]
Arsine, (p-chlorophenyl)oxo-
BRN 3233809 [DBID]
NSC 379288 [DBID]
NSC379288 [DBID]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 226.49 (Adapted Stein & Brown method) Melting Pt (deg C): 42.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0614 (Modified Grain method) Subcooled liquid VP: 0.088 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 98.09 log Kow used: 3.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 440.98 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.668E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4687 Biowin2 (Non-Linear Model) : 0.1322 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5451 (weeks-months) Biowin4 (Primary Survey Model) : 3.3903 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1488 Biowin6 (MITI Non-Linear Model): 0.0449 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0521 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 11.7 Pa (0.088 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.56E-007 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.24E-006 Mackay model : 2.05E-005 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3716 E-12 cm3/molecule-sec Half-Life = 7.798 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 93.575 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.48E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 838.6 Log Koc: 2.924 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.677 (BCF = 47.57) log Kow used: 3.09 (estimated) Volatilization from Water: Henry LC: 0.000167 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 6.448 hours Half-Life from Model Lake : 189.7 hours (7.902 days) Removal In Wastewater Treatment: Total removal: 13.46 percent Total biodegradation: 0.12 percent Total sludge adsorption: 6.14 percent Total to Air: 7.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.06 187 1000 Water 14.5 900 1000 Soil 81.1 1.8e+003 1000 Sediment 0.404 8.1e+003 0 Persistence Time: 889 hr
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