Try beta.chemspider
2-Propanesulfonyl chloride
CC(C)S(=O)(=O)Cl
InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3
DRINJBFRTLBHNF-UHFFFAOYSA-N
CSID:74370, http://www.chemspider.com/Chemical-Structure.74370.html (accessed 08:33, Apr 24, 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) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.22 (Adapted Stein & Brown method) Melting Pt (deg C): 4.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.749 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1119 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.256E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -2.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6797 Biowin2 (Non-Linear Model) : 0.7279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8840 (weeks ) Biowin4 (Primary Survey Model) : 3.6420 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2381 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 90.8 Pa (0.681 mm Hg) Log Koa (Koawin est ): 4.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-008 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-006 Mackay model : 2.64E-006 Octanol/air (Koa) model: 9.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4666 E-12 cm3/molecule-sec Half-Life = 0.692 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.299 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.44 Log Koc: 1.289 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 = 0.980 (BCF = 9.546) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 7.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 212.1 hours (8.837 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 3.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 16.6 1000 Water 28.5 360 1000 Soil 69 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 370 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.22 (Adapted Stein & Brown method) Melting Pt (deg C): 4.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.749 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1119 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.256E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -2.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6797 Biowin2 (Non-Linear Model) : 0.7279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8840 (weeks ) Biowin4 (Primary Survey Model) : 3.6420 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2381 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 90.8 Pa (0.681 mm Hg) Log Koa (Koawin est ): 4.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-008 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-006 Mackay model : 2.64E-006 Octanol/air (Koa) model: 9.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4666 E-12 cm3/molecule-sec Half-Life = 0.692 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.299 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.44 Log Koc: 1.289 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 = 0.980 (BCF = 9.546) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 7.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 212.1 hours (8.837 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 3.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 16.6 1000 Water 28.5 360 1000 Soil 69 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 370 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.22 (Adapted Stein & Brown method) Melting Pt (deg C): 4.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.749 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1119 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.256E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -2.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6797 Biowin2 (Non-Linear Model) : 0.7279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8840 (weeks ) Biowin4 (Primary Survey Model) : 3.6420 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2381 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 90.8 Pa (0.681 mm Hg) Log Koa (Koawin est ): 4.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-008 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-006 Mackay model : 2.64E-006 Octanol/air (Koa) model: 9.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4666 E-12 cm3/molecule-sec Half-Life = 0.692 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.299 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.44 Log Koc: 1.289 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 = 0.980 (BCF = 9.546) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 7.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 212.1 hours (8.837 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 3.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 16.6 1000 Water 28.5 360 1000 Soil 69 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 370 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.22 (Adapted Stein & Brown method) Melting Pt (deg C): 4.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.749 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1119 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.256E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -2.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6797 Biowin2 (Non-Linear Model) : 0.7279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8840 (weeks ) Biowin4 (Primary Survey Model) : 3.6420 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2381 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 90.8 Pa (0.681 mm Hg) Log Koa (Koawin est ): 4.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-008 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-006 Mackay model : 2.64E-006 Octanol/air (Koa) model: 9.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4666 E-12 cm3/molecule-sec Half-Life = 0.692 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.299 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.44 Log Koc: 1.289 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 = 0.980 (BCF = 9.546) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 7.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 212.1 hours (8.837 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 3.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 16.6 1000 Water 28.5 360 1000 Soil 69 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 370 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.22 (Adapted Stein & Brown method) Melting Pt (deg C): 4.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.749 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1119 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.256E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -2.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6797 Biowin2 (Non-Linear Model) : 0.7279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8840 (weeks ) Biowin4 (Primary Survey Model) : 3.6420 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2381 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 90.8 Pa (0.681 mm Hg) Log Koa (Koawin est ): 4.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-008 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-006 Mackay model : 2.64E-006 Octanol/air (Koa) model: 9.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4666 E-12 cm3/molecule-sec Half-Life = 0.692 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.299 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.44 Log Koc: 1.289 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 = 0.980 (BCF = 9.546) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 7.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 212.1 hours (8.837 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 3.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 16.6 1000 Water 28.5 360 1000 Soil 69 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 370 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.22 (Adapted Stein & Brown method) Melting Pt (deg C): 4.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.749 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1119 log Kow used: 2.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.5473e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.73E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.256E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.18 (KowWin est) Log Kaw used: -2.500 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.680 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6797 Biowin2 (Non-Linear Model) : 0.7279 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8840 (weeks ) Biowin4 (Primary Survey Model) : 3.6420 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2381 Biowin6 (MITI Non-Linear Model): 0.1608 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 90.8 Pa (0.681 mm Hg) Log Koa (Koawin est ): 4.680 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.3E-008 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-006 Mackay model : 2.64E-006 Octanol/air (Koa) model: 9.4E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 15.4666 E-12 cm3/molecule-sec Half-Life = 0.692 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.299 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.44 Log Koc: 1.289 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 = 0.980 (BCF = 9.546) log Kow used: 2.18 (estimated) Volatilization from Water: Henry LC: 7.73E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.26 hours Half-Life from Model Lake : 212.1 hours (8.837 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.28 percent Total to Air: 3.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.32 16.6 1000 Water 28.5 360 1000 Soil 69 720 1000 Sediment 0.125 3.24e+003 0 Persistence Time: 370 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight