Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 4.84
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 224.23 (Adapted Stein & Brown method)
Melting Pt (deg C): -5.21 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.16 (Mean VP of Antoine & Grain methods)
MP (exp database): -41 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 3.846
log Kow used: 4.84 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.1869 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Vinyl/Allyl Ethers
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 7.34E-002 atm-m3/mole
Group Method: 8.88E-002 atm-m3/mole
Henrys LC [VP/WSol estimate using EPI values]: 1.009E-002 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.84 (KowWin est)
Log Kaw used: 0.477 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.363
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4209
Biowin2 (Non-Linear Model) : 0.2325
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0815 (weeks )
Biowin4 (Primary Survey Model) : 3.8411 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6290
Biowin6 (MITI Non-Linear Model): 0.7442
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1949
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 20 Pa (0.15 mm Hg)
Log Koa (Koawin est ): 4.363
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.5E-007
Octanol/air (Koa) model: 5.66E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.42E-006
Mackay model : 1.2E-005
Octanol/air (Koa) model: 4.53E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 55.0131 E-12 cm3/molecule-sec
Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.333 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 0.875000 E-17 cm3/molecule-sec
Half-Life = 1.310 Days (at 7E11 mol/cm3)
Half-Life = 31.433 Hrs
Fraction sorbed to airborne particulates (phi): 8.71E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 588.5
Log Koc: 2.770
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 = 2.028 (BCF = 106.7)
log Kow used: 4.84 (estimated)
Volatilization from Water:
Henry LC: 0.0888 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.394 hours
Half-Life from Model Lake : 129 hours (5.377 days)
Removal In Wastewater Treatment (recommended maximum 95%):
Total removal: 98.11 percent
Total biodegradation: 0.17 percent
Total sludge adsorption: 45.76 percent
Total to Air: 52.18 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.982 4.06 1000
Water 18 360 1000
Soil 66.4 720 1000
Sediment 14.6 3.24e+003 0
Persistence Time: 336 hr