2-(4-Fluorophenyl)ethanamine
c1cc(ccc1CCN)F
InChI=1S/C8H10FN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
CKLFJWXRWIQYOC-UHFFFAOYSA-N
CSID:4492, http://www.chemspider.com/Chemical-Structure.4492.html (accessed 20:36, Jun 1, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method) Melting Pt (deg C): 16.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.176e+004 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-007 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -4.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0798 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months) Biowin4 (Primary Survey Model) : 3.6352 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3754 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 45.7 Pa (0.343 mm Hg) Log Koa (Koawin est ): 5.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-008 Octanol/air (Koa) model: 2.2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-006 Mackay model : 5.25E-006 Octanol/air (Koa) model: 1.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1162 Log Koc: 3.065 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 = 0.484 (BCF = 3.051) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1353 hours (56.37 days) Half-Life from Model Lake : 1.486E+004 hours (619.1 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 7.17 1000 Water 40.3 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 694 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method) Melting Pt (deg C): 16.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.176e+004 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-007 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -4.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0798 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months) Biowin4 (Primary Survey Model) : 3.6352 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3754 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 45.7 Pa (0.343 mm Hg) Log Koa (Koawin est ): 5.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-008 Octanol/air (Koa) model: 2.2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-006 Mackay model : 5.25E-006 Octanol/air (Koa) model: 1.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1162 Log Koc: 3.065 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 = 0.484 (BCF = 3.051) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1353 hours (56.37 days) Half-Life from Model Lake : 1.486E+004 hours (619.1 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 7.17 1000 Water 40.3 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 694 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method) Melting Pt (deg C): 16.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.176e+004 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-007 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -4.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0798 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months) Biowin4 (Primary Survey Model) : 3.6352 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3754 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 45.7 Pa (0.343 mm Hg) Log Koa (Koawin est ): 5.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-008 Octanol/air (Koa) model: 2.2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-006 Mackay model : 5.25E-006 Octanol/air (Koa) model: 1.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1162 Log Koc: 3.065 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 = 0.484 (BCF = 3.051) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1353 hours (56.37 days) Half-Life from Model Lake : 1.486E+004 hours (619.1 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 7.17 1000 Water 40.3 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 694 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method) Melting Pt (deg C): 16.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.176e+004 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-007 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -4.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0798 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months) Biowin4 (Primary Survey Model) : 3.6352 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3754 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 45.7 Pa (0.343 mm Hg) Log Koa (Koawin est ): 5.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-008 Octanol/air (Koa) model: 2.2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-006 Mackay model : 5.25E-006 Octanol/air (Koa) model: 1.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1162 Log Koc: 3.065 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 = 0.484 (BCF = 3.051) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1353 hours (56.37 days) Half-Life from Model Lake : 1.486E+004 hours (619.1 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 7.17 1000 Water 40.3 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 694 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method) Melting Pt (deg C): 16.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.176e+004 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-007 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -4.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0798 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months) Biowin4 (Primary Survey Model) : 3.6352 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3754 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 45.7 Pa (0.343 mm Hg) Log Koa (Koawin est ): 5.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-008 Octanol/air (Koa) model: 2.2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-006 Mackay model : 5.25E-006 Octanol/air (Koa) model: 1.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1162 Log Koc: 3.065 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 = 0.484 (BCF = 3.051) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1353 hours (56.37 days) Half-Life from Model Lake : 1.486E+004 hours (619.1 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 7.17 1000 Water 40.3 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 694 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 199.24 (Adapted Stein & Brown method) Melting Pt (deg C): 16.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.375 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.176e+004 log Kow used: 1.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10089 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.48E-007 atm-m3/mole Group Method: 5.11E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.644E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.54 (KowWin est) Log Kaw used: -4.412 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.952 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0798 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4343 (weeks-months) Biowin4 (Primary Survey Model) : 3.6352 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3754 Biowin6 (MITI Non-Linear Model): 0.0068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 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): 45.7 Pa (0.343 mm Hg) Log Koa (Koawin est ): 5.952 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.56E-008 Octanol/air (Koa) model: 2.2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.37E-006 Mackay model : 5.25E-006 Octanol/air (Koa) model: 1.76E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.8085 E-12 cm3/molecule-sec Half-Life = 0.299 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.584 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.81E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1162 Log Koc: 3.065 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 = 0.484 (BCF = 3.051) log Kow used: 1.54 (estimated) Volatilization from Water: Henry LC: 5.11E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1353 hours (56.37 days) Half-Life from Model Lake : 1.486E+004 hours (619.1 days) Removal In Wastewater Treatment: Total removal: 2.01 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.89 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 7.17 1000 Water 40.3 900 1000 Soil 59.1 1.8e+003 1000 Sediment 0.104 8.1e+003 0 Persistence Time: 694 hr
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