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Trimethylselenonium
C[Se+](C)C
InChI=1S/C3H9Se/c1-4(2)3/h1-3H3/q+1
BWJVPBNHAHLFAZ-UHFFFAOYSA-N
CSID:82691, http://www.chemspider.com/Chemical-Structure.82691.html (accessed 13:11, Apr 28, 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) = 0.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 89.07 (Adapted Stein & Brown method) Melting Pt (deg C): -66.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 59.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.749e+004 log Kow used: 0.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23936 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.92E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.563E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.87 (KowWin est) Log Kaw used: -1.923 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.793 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6885 Biowin2 (Non-Linear Model) : 0.7768 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9250 (weeks ) Biowin4 (Primary Survey Model) : 3.6687 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3443 Biowin6 (MITI Non-Linear Model): 0.2694 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5974 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): 7.64E+003 Pa (57.3 mm Hg) Log Koa (Koawin est ): 2.793 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.93E-010 Octanol/air (Koa) model: 1.52E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.42E-008 Mackay model : 3.14E-008 Octanol/air (Koa) model: 1.22E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.1824 E-12 cm3/molecule-sec Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.882 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.28E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.500 (BCF = 3.162) log Kow used: 0.87 (estimated) Volatilization from Water: Henry LC: 0.000292 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.37 hours Half-Life from Model Lake : 130.2 hours (5.423 days) Removal In Wastewater Treatment: Total removal: 13.65 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.60 percent Total to Air: 11.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.18 3.77 1000 Water 55.4 360 1000 Soil 42.3 720 1000 Sediment 0.108 3.24e+003 0 Persistence Time: 160 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 89.07 (Adapted Stein & Brown method) Melting Pt (deg C): -66.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 59.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.749e+004 log Kow used: 0.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23936 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.92E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.563E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.87 (KowWin est) Log Kaw used: -1.923 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.793 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6885 Biowin2 (Non-Linear Model) : 0.7768 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9250 (weeks ) Biowin4 (Primary Survey Model) : 3.6687 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3443 Biowin6 (MITI Non-Linear Model): 0.2694 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5974 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): 7.64E+003 Pa (57.3 mm Hg) Log Koa (Koawin est ): 2.793 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.93E-010 Octanol/air (Koa) model: 1.52E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.42E-008 Mackay model : 3.14E-008 Octanol/air (Koa) model: 1.22E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 68.1824 E-12 cm3/molecule-sec Half-Life = 0.157 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.882 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.28E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.500 (BCF = 3.162) log Kow used: 0.87 (estimated) Volatilization from Water: Henry LC: 0.000292 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.37 hours Half-Life from Model Lake : 130.2 hours (5.423 days) Removal In Wastewater Treatment: Total removal: 13.65 percent Total biodegradation: 0.08 percent Total sludge adsorption: 1.60 percent Total to Air: 11.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.18 3.77 1000 Water 55.4 360 1000 Soil 42.3 720 1000 Sediment 0.108 3.24e+003 0 Persistence Time: 160 hr
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