Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = -0.21
Log Kow (Exper. database match) = -0.13
Exper. Ref: Hansch,C et al. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 118.18 (Adapted Stein & Brown method)
Melting Pt (deg C): -73.62 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 5.55 (Modified Grain method)
MP (exp database): 45 deg C
BP (exp database): 115 deg C
Subcooled liquid VP: 8.44 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): 1.772e+005
log Kow used: -0.13 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 32807 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 5.88E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 2.434E-006 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -0.13 (exp database)
Log Kaw used: -3.619 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.489
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7194
Biowin2 (Non-Linear Model) : 0.8975
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0686 (weeks )
Biowin4 (Primary Survey Model) : 3.7625 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4862
Biowin6 (MITI Non-Linear Model): 0.6770
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5907
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): 1.13E+003 Pa (8.44 mm Hg)
Log Koa (Koawin est ): 3.489
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.67E-009
Octanol/air (Koa) model: 7.57E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 9.63E-008
Mackay model : 2.13E-007
Octanol/air (Koa) model: 6.05E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.1073 E-12 cm3/molecule-sec
Half-Life = 5.076 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 60.909 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 1.55E-007 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 43.79
Log Koc: 1.641
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: -0.13 (expkow database)
Volatilization from Water:
Henry LC: 5.88E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 77.31 hours (3.221 days)
Half-Life from Model Lake : 907.9 hours (37.83 days)
Removal In Wastewater Treatment:
Total removal: 2.18 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.75 percent
Total to Air: 0.33 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 6.38 117 1000
Water 45.6 360 1000
Soil 47.9 720 1000
Sediment 0.084 3.24e+003 0
Persistence Time: 355 hr