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CAS Num: 097375-48-9
SMILES : COCCOc1ccc(cc1)C
CHEM : Benzene, 1-(2-methoxyethoxy)-4-methyl-
MOL FOR: C10 H14 O2
MOL WT : 166.22
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 2.35
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 231.03 (Adapted Stein & Brown method)
Melting Pt (deg C): 16.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0741 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 9.88 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 634.5
log Kow used: 2.35 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 634.64 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.47E-006 atm-m3/mole (5.54E-001 Pa-m3/mole)
Group Method: 9.96E-006 atm-m3/mole (1.01E+000 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 2.554E-005 atm-m3/mole (2.588E+000 Pa-m3/mole)
VP: 0.0741 mm Hg (source: MPBPVP)
WS: 635 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.35 (KowWin est)
Log Kaw used: -3.650 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.000
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5076
Biowin2 (Non-Linear Model) : 0.5111
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6902 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6068 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5879
Biowin6 (MITI Non-Linear Model): 0.6477
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0242
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): 9.33 Pa (0.07 mm Hg)
Log Koa (Koawin est ): 6.000
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.21E-007
Octanol/air (Koa) model: 2.45E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.16E-005
Mackay model : 2.57E-005
Octanol/air (Koa) model: 1.96E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 41.3421 E-12 cm3/molecule-sec
Half-Life = 0.259 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.105 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.87E-005 (Junge-Pankow, Mackay avg)
1.96E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 121.9 L/kg (MCI method)
Log Koc: 2.086 (MCI method)
Koc : 155 L/kg (Kow method)
Log Koc: 2.190 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.215 (BCF = 16.42 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3125 days (HL = 0.487 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.328 (BCF = 21.28)
Log BAF Arnot-Gobas method (upper trophic) = 1.328 (BAF = 21.28)
log Kow used: 2.35 (estimated)
Volatilization from Water:
Henry LC: 9.96E-006 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 77.1 hours (3.213 days)
Half-Life from Model Lake : 949.2 hours (39.55 days)
Removal In Wastewater Treatment:
Total removal: 3.27 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.62 percent
Total to Air: 0.55 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.341 6.21 1000
Water 23.2 900 1000
Soil 76.3 1.8e+003 1000
Sediment 0.181 8.1e+003 0
Persistence Time: 893 hr