Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.96
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 207.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.253 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.598e+004
log Kow used: 1.96 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5404.7 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.26E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.191E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.96 (KowWin est)
Log Kaw used: -4.288 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.248
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0731
Biowin2 (Non-Linear Model) : 0.0003
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4033 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6149 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2339
Biowin6 (MITI Non-Linear Model): 0.0027
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2644
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): 30.9 Pa (0.232 mm Hg)
Log Koa (Koawin est ): 6.248
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.7E-008
Octanol/air (Koa) model: 4.35E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.5E-006
Mackay model : 7.76E-006
Octanol/air (Koa) model: 3.48E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.4834 E-12 cm3/molecule-sec
Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.703 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.63E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1796
Log Koc: 3.254
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 = 0.806 (BCF = 6.397)
log Kow used: 1.96 (estimated)
Volatilization from Water:
Henry LC: 1.26E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 576.4 hours (24.02 days)
Half-Life from Model Lake : 6392 hours (266.3 days)
Removal In Wastewater Treatment:
Total removal: 2.28 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.11 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.326 5.41 1000
Water 31.9 900 1000
Soil 67.7 1.8e+003 1000
Sediment 0.118 8.1e+003 0
Persistence Time: 784 hr
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.96
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 207.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.253 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.598e+004
log Kow used: 1.96 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5404.7 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.26E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.191E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.96 (KowWin est)
Log Kaw used: -4.288 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.248
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0731
Biowin2 (Non-Linear Model) : 0.0003
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4033 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6149 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2339
Biowin6 (MITI Non-Linear Model): 0.0027
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2644
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): 30.9 Pa (0.232 mm Hg)
Log Koa (Koawin est ): 6.248
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.7E-008
Octanol/air (Koa) model: 4.35E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.5E-006
Mackay model : 7.76E-006
Octanol/air (Koa) model: 3.48E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.4834 E-12 cm3/molecule-sec
Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.703 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.63E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1796
Log Koc: 3.254
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 = 0.806 (BCF = 6.397)
log Kow used: 1.96 (estimated)
Volatilization from Water:
Henry LC: 1.26E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 576.4 hours (24.02 days)
Half-Life from Model Lake : 6392 hours (266.3 days)
Removal In Wastewater Treatment:
Total removal: 2.28 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.11 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.326 5.41 1000
Water 31.9 900 1000
Soil 67.7 1.8e+003 1000
Sediment 0.118 8.1e+003 0
Persistence Time: 784 hr
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.96
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 207.09 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.54 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.253 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.598e+004
log Kow used: 1.96 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 5404.7 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 1.26E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 3.191E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.96 (KowWin est)
Log Kaw used: -4.288 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.248
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.0731
Biowin2 (Non-Linear Model) : 0.0003
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4033 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6149 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2339
Biowin6 (MITI Non-Linear Model): 0.0027
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2644
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): 30.9 Pa (0.232 mm Hg)
Log Koa (Koawin est ): 6.248
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.7E-008
Octanol/air (Koa) model: 4.35E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.5E-006
Mackay model : 7.76E-006
Octanol/air (Koa) model: 3.48E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 47.4834 E-12 cm3/molecule-sec
Half-Life = 0.225 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.703 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.63E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1796
Log Koc: 3.254
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 = 0.806 (BCF = 6.397)
log Kow used: 1.96 (estimated)
Volatilization from Water:
Henry LC: 1.26E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 576.4 hours (24.02 days)
Half-Life from Model Lake : 6392 hours (266.3 days)
Removal In Wastewater Treatment:
Total removal: 2.28 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.11 percent
Total to Air: 0.07 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.326 5.41 1000
Water 31.9 900 1000
Soil 67.7 1.8e+003 1000
Sediment 0.118 8.1e+003 0
Persistence Time: 784 hr