Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.31
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 205.98 (Adapted Stein & Brown method)
Melting Pt (deg C): -7.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.267 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6858
log Kow used: 2.31 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3399.2 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 4.71E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 8.567E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.31 (KowWin est)
Log Kaw used: -3.715 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.025
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9499
Biowin2 (Non-Linear Model) : 0.9719
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8761 (weeks )
Biowin4 (Primary Survey Model) : 3.6546 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2468
Biowin6 (MITI Non-Linear Model): 0.0031
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.4625
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): 32.8 Pa (0.246 mm Hg)
Log Koa (Koawin est ): 6.025
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.15E-008
Octanol/air (Koa) model: 2.6E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.3E-006
Mackay model : 7.32E-006
Octanol/air (Koa) model: 2.08E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 7.4561 E-12 cm3/molecule-sec
Half-Life = 1.435 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 17.214 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 5.31E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2718
Log Koc: 3.434
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 = 1.080 (BCF = 12.01)
log Kow used: 2.31 (estimated)
Volatilization from Water:
Henry LC: 4.71E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 162.1 hours (6.753 days)
Half-Life from Model Lake : 1876 hours (78.19 days)
Removal In Wastewater Treatment:
Total removal: 2.92 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.55 percent
Total to Air: 0.26 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.51 34.4 1000
Water 28.1 360 1000
Soil 69.2 720 1000
Sediment 0.147 3.24e+003 0
Persistence Time: 445 hr