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(3,4-Dihydroxyphenyl)(triphenyl)arsonium
c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O
InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1
AYGYLFIDAXGERM-UHFFFAOYSA-O
CSID:4574013, http://www.chemspider.com/Chemical-Structure.4574013.html (accessed 02:53, Jul 8, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 6.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 554.39 (Adapted Stein & Brown method) Melting Pt (deg C): 238.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.12E-014 (Modified Grain method) Subcooled liquid VP: 1.42E-011 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): 0.0151 log Kow used: 6.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.16111 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Phenols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.89E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.583E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.77 (KowWin est) Log Kaw used: -11.112 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.882 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.1652 Biowin2 (Non-Linear Model) : 0.9868 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4579 (weeks-months) Biowin4 (Primary Survey Model) : 3.3411 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2501 Biowin6 (MITI Non-Linear Model): 0.0017 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0657 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): 1.89E-009 Pa (1.42E-011 mm Hg) Log Koa (Koawin est ): 17.882 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.58E+003 Octanol/air (Koa) model: 1.87E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.0731 E-12 cm3/molecule-sec Half-Life = 0.368 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.415 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.523E+007 Log Koc: 7.655 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 = 4.516 (BCF = 3.284e+004) log Kow used: 6.77 (estimated) Volatilization from Water: Henry LC: 1.89E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.321E+009 hours (2.634E+008 days) Half-Life from Model Lake : 6.896E+010 hours (2.873E+009 days) Removal In Wastewater Treatment: Total removal: 93.71 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.93 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0373 8.83 1000 Water 2.04 900 1000 Soil 38.2 1.8e+003 1000 Sediment 59.7 8.1e+003 0 Persistence Time: 3.58e+003 hr
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