Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 3.25
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 283.85 (Adapted Stein & Brown method)
Melting Pt (deg C): 57.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.00231 (Modified Grain method)
Subcooled liquid VP: 0.00458 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): 67.11
log Kow used: 3.25 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.1384 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.46E-005 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 9.405E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.25 (KowWin est)
Log Kaw used: -2.998 (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) : 0.4663
Biowin2 (Non-Linear Model) : 0.1239
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.5337 (weeks-months)
Biowin4 (Primary Survey Model) : 3.3828 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1832
Biowin6 (MITI Non-Linear Model): 0.0596
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0015
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): 0.611 Pa (0.00458 mm Hg)
Log Koa (Koawin est ): 6.248
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.91E-006
Octanol/air (Koa) model: 4.35E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.000177
Mackay model : 0.000393
Octanol/air (Koa) model: 3.48E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 8.9809 E-12 cm3/molecule-sec
Half-Life = 1.191 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 14.292 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec
Half-Life = 382.000 Days (at 7E11 mol/cm3)
Fraction sorbed to airborne particulates (phi): 0.000285 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 1.604E+004
Log Koc: 4.205
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 = 1.802 (BCF = 63.37)
log Kow used: 3.25 (estimated)
Volatilization from Water:
Henry LC: 2.46E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 35.77 hours (1.49 days)
Half-Life from Model Lake : 511 hours (21.29 days)
Removal In Wastewater Treatment:
Total removal: 9.66 percent
Total biodegradation: 0.14 percent
Total sludge adsorption: 8.27 percent
Total to Air: 1.24 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.07 28.5 1000
Water 17.2 900 1000
Soil 81 1.8e+003 1000
Sediment 0.694 8.1e+003 0
Persistence Time: 1.01e+003 hr