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Home Page Flashcards Tavaborole C7H6BFO2 structure - Flashcards

Tavaborole C7H6BFO2 structure – Flashcards

Flashcard maker : Linda Lynch

Molecular Formula C7H6BFO2
Average mass 151.931 Da
Density 1.3±0.1 g/cm3
Boiling Point 230.8±50.0 °C at 760 mmHg
Flash Point 93.4±30.1 °C
Molar Refractivity 36.2±0.4 cm3
Polarizability 14.3±0.5 10-24cm3
Surface Tension 37.2±5.0 dyne/cm
Molar Volume 117.9±5.0 cm3
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties

    • Experimental Solubility:

      10 mM in DMSO MedChem Express HY-10980
      DMSO ?125mg/mL Water <1.2mg/mL Ethanol ?125mg/mL MedChem Express HY-10980
  • Miscellaneous

    • Bio Activity:

      AN-2690(Tavaborole) is an antifungal agent with activity against Trichophyton species, in a topical solution formulation for the potential treatment of onychomycosis. MedChem Express
      AN-2690(Tavaborole) is an antifungal agent with activity against Trichophyton species, in a topical solution formulation for the potential treatment of onychomycosis.; IC50 value:; Target: Antifungal agent; AN-2690, a broad-spectrum drug, is a very promising candidate for treatment of ungual and periungual infections with improved nail penetration and low keratin binding. MedChem Express HY-10980
      AN-2690(Tavaborole) is an antifungal agent with activity against Trichophyton species, in a topical solution formulation for the potential treatment of onychomycosis.;IC50 value:;Target: Antifungal agentAN-2690, a broad-spectrum drug, is a very promising candidate for treatment of ungual and periungual infections with improved nail penetration and low keratin binding. AN-2690 is an antifungal agent with activity against Trichophyton species. AN-2690 inhibits yeast cytoplasmic leucyl-tRNA synthetase by formation of a stable tRNA(Leu)-AN2690 adduct in the editing site of the enzyme. AN-2690 is currently in clinical trials for onychomycosis topical treatment. MedChem Express HY-10980
      Antifungal MedChem Express HY-10980
      Anti-infection MedChem Express HY-10980
      Anti-infection; MedChem Express HY-10980

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 230.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 93.4±30.1 °C
Index of Refraction: 1.526
Molar Refractivity: 36.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 29 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 37.2±5.0 dyne/cm
Molar Volume: 117.9±5.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™ 

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 244.78 (Adapted Stein & Brown method)
 Melting Pt (deg C): 39.26 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00325 (Modified Grain method)
 Subcooled liquid VP: 0.00437 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): 6029
 log Kow used: 1.28 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 7.458e+005 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]: 1.078E-007 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) : -0.1348
 Biowin2 (Non-Linear Model) : 0.0001
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4565 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6420 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2465
 Biowin6 (MITI Non-Linear Model): 0.0036
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5425
 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): 0.583 Pa (0.00437 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.15E-006 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000186 
 Mackay model : 0.000412 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 9.8554 E-12 cm3/molecule-sec
 Half-Life = 1.085 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 13.024 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000299 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2668
 Log Koc: 3.426 

 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 = 0.284 (BCF = 1.923)
 log Kow used: 1.28 (estimated)

 Volatilization from Water:
 Henry LC: 1.08E-007 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 6698 hours (279.1 days)
 Half-Life from Model Lake : 7.317E+004 hours (3049 days)

 Removal In Wastewater Treatment:
 Total removal: 1.93 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.83 percent
 Total to Air: 0.01 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.731 26 1000 
 Water 40.9 900 1000 
 Soil 58.3 1.8e+003 1000 
 Sediment 0.0934 8.1e+003 0 
 Persistence Time: 823 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 244.78 (Adapted Stein & Brown method)
 Melting Pt (deg C): 39.26 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00325 (Modified Grain method)
 Subcooled liquid VP: 0.00437 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): 6029
 log Kow used: 1.28 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 7.458e+005 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]: 1.078E-007 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) : -0.1348
 Biowin2 (Non-Linear Model) : 0.0001
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4565 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6420 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2465
 Biowin6 (MITI Non-Linear Model): 0.0036
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5425
 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): 0.583 Pa (0.00437 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.15E-006 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000186 
 Mackay model : 0.000412 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 9.8554 E-12 cm3/molecule-sec
 Half-Life = 1.085 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 13.024 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000299 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2668
 Log Koc: 3.426 

 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 = 0.284 (BCF = 1.923)
 log Kow used: 1.28 (estimated)

 Volatilization from Water:
 Henry LC: 1.08E-007 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 6698 hours (279.1 days)
 Half-Life from Model Lake : 7.317E+004 hours (3049 days)

 Removal In Wastewater Treatment:
 Total removal: 1.93 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.83 percent
 Total to Air: 0.01 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.731 26 1000 
 Water 40.9 900 1000 
 Soil 58.3 1.8e+003 1000 
 Sediment 0.0934 8.1e+003 0 
 Persistence Time: 823 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 244.78 (Adapted Stein & Brown method)
 Melting Pt (deg C): 39.26 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00325 (Modified Grain method)
 Subcooled liquid VP: 0.00437 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): 6029
 log Kow used: 1.28 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 7.458e+005 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]: 1.078E-007 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) : -0.1348
 Biowin2 (Non-Linear Model) : 0.0001
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4565 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6420 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2465
 Biowin6 (MITI Non-Linear Model): 0.0036
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5425
 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): 0.583 Pa (0.00437 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.15E-006 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000186 
 Mackay model : 0.000412 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 9.8554 E-12 cm3/molecule-sec
 Half-Life = 1.085 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 13.024 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000299 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2668
 Log Koc: 3.426 

 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 = 0.284 (BCF = 1.923)
 log Kow used: 1.28 (estimated)

 Volatilization from Water:
 Henry LC: 1.08E-007 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 6698 hours (279.1 days)
 Half-Life from Model Lake : 7.317E+004 hours (3049 days)

 Removal In Wastewater Treatment:
 Total removal: 1.93 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.83 percent
 Total to Air: 0.01 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.731 26 1000 
 Water 40.9 900 1000 
 Soil 58.3 1.8e+003 1000 
 Sediment 0.0934 8.1e+003 0 
 Persistence Time: 823 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 244.78 (Adapted Stein & Brown method)
 Melting Pt (deg C): 39.26 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00325 (Modified Grain method)
 Subcooled liquid VP: 0.00437 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): 6029
 log Kow used: 1.28 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 7.458e+005 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]: 1.078E-007 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) : -0.1348
 Biowin2 (Non-Linear Model) : 0.0001
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4565 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6420 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2465
 Biowin6 (MITI Non-Linear Model): 0.0036
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5425
 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): 0.583 Pa (0.00437 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.15E-006 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000186 
 Mackay model : 0.000412 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 9.8554 E-12 cm3/molecule-sec
 Half-Life = 1.085 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 13.024 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000299 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2668
 Log Koc: 3.426 

 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 = 0.284 (BCF = 1.923)
 log Kow used: 1.28 (estimated)

 Volatilization from Water:
 Henry LC: 1.08E-007 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 6698 hours (279.1 days)
 Half-Life from Model Lake : 7.317E+004 hours (3049 days)

 Removal In Wastewater Treatment:
 Total removal: 1.93 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.83 percent
 Total to Air: 0.01 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.731 26 1000 
 Water 40.9 900 1000 
 Soil 58.3 1.8e+003 1000 
 Sediment 0.0934 8.1e+003 0 
 Persistence Time: 823 hr


 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 244.78 (Adapted Stein & Brown method)
 Melting Pt (deg C): 39.26 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.00325 (Modified Grain method)
 Subcooled liquid VP: 0.00437 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): 6029
 log Kow used: 1.28 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 7.458e+005 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]: 1.078E-007 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) : -0.1348
 Biowin2 (Non-Linear Model) : 0.0001
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.4565 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.6420 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2465
 Biowin6 (MITI Non-Linear Model): 0.0036
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.5425
 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): 0.583 Pa (0.00437 mm Hg)
 Log Koa (): not available
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 5.15E-006 
 Octanol/air (Koa) model: not available
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 0.000186 
 Mackay model : 0.000412 
 Octanol/air (Koa) model: not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 9.8554 E-12 cm3/molecule-sec
 Half-Life = 1.085 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 13.024 Hrs
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 0.000299 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 2668
 Log Koc: 3.426 

 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 = 0.284 (BCF = 1.923)
 log Kow used: 1.28 (estimated)

 Volatilization from Water:
 Henry LC: 1.08E-007 atm-m3/mole (calculated from VP/WS)
 Half-Life from Model River: 6698 hours (279.1 days)
 Half-Life from Model Lake : 7.317E+004 hours (3049 days)

 Removal In Wastewater Treatment:
 Total removal: 1.93 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.83 percent
 Total to Air: 0.01 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.731 26 1000 
 Water 40.9 900 1000 
 Soil 58.3 1.8e+003 1000 
 Sediment 0.0934 8.1e+003 0 
 Persistence Time: 823 hr

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