Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 0.29
Log Kow (Exper. database match) = 0.27
Exper. Ref: Sangster (1993)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 414.79 (Adapted Stein & Brown method)
Melting Pt (deg C): 168.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.4E-006 (Modified Grain method)
MP (exp database): 69-70 deg C
Subcooled liquid VP: 3.62E-006 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): 2.466e+004
log Kow used: 0.27 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 3.42E-015 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.349E-011 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.27 (exp database)
Log Kaw used: -12.854 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 13.124
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7003
Biowin2 (Non-Linear Model) : 0.1886
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.2985 (weeks-months)
Biowin4 (Primary Survey Model) : 3.1927 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.2302
Biowin6 (MITI Non-Linear Model): 0.0009
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3500
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): 0.000483 Pa (3.62E-006 mm Hg)
Log Koa (Koawin est ): 13.124
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00622
Octanol/air (Koa) model: 3.27
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.183
Mackay model : 0.332
Octanol/air (Koa) model: 0.996
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 362.1043 E-12 cm3/molecule-sec
Half-Life = 0.030 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 21.268 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.017500 E-17 cm3/molecule-sec
Half-Life = 65.486 Days (at 7E11 mol/cm3)
Reaction With Nitrate Radicals May Be Important!
Fraction sorbed to airborne particulates (phi): 0.258 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 2.776E+004
Log Koc: 4.443
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 = 0.500 (BCF = 3.162)
log Kow used: 0.27 (expkow database)
Volatilization from Water:
Henry LC: 3.42E-015 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.036E+011 hours (1.265E+010 days)
Half-Life from Model Lake : 3.311E+012 hours (1.38E+011 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.83e-008 0.709 1000
Water 45.2 900 1000
Soil 54.7 1.8e+003 1000
Sediment 0.0884 8.1e+003 0
Persistence Time: 989 hr