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CAS Num: 004112-89-4
SMILES : O=C(Oc(c(OC)ccc1)c1)Cc(cccc2)c2
CHEM : Benzeneacetic acid, 2-methoxyphenyl ester
MOL FOR: C15 H14 O3
MOL WT : 242.28
------------------------------ 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) = 3.38
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 343.61 (Adapted Stein & Brown method)
Melting Pt (deg C): 101.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.38E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0045 (Modified Grain method)
Subcooled liquid VP: 0.000187 mm Hg (25 deg C, Mod-Grain method)
: 0.0249 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 33.99
log Kow used: 3.38 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 8.0598 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.10E-007 atm-m3/mole (3.14E-002 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 3.170E-007 atm-m3/mole (3.212E-002 Pa-m3/mole)
VP: 3.38E-005 mm Hg (source: MPBPVP)
WS: 34 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.38 (KowWin est)
Log Kaw used: -4.897 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.277
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 1.1211
Biowin2 (Non-Linear Model) : 0.9997
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6930 (weeks-months)
Biowin4 (Primary Survey Model) : 3.7406 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5490
Biowin6 (MITI Non-Linear Model): 0.5687
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3439
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): 0.0249 Pa (0.000187 mm Hg)
Log Koa (Koawin est ): 8.277
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00012
Octanol/air (Koa) model: 4.65E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00433
Mackay model : 0.00953
Octanol/air (Koa) model: 0.0037
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 20.1483 E-12 cm3/molecule-sec
Half-Life = 0.531 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.370 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00693 (Junge-Pankow, Mackay avg)
0.0037 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1611 L/kg (MCI method)
Log Koc: 3.207 (MCI method)
Koc : 609.5 L/kg (Kow method)
Log Koc: 2.785 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 2.189E+000 L/mol-sec
Kb Half-Life at pH 8: 3.664 days
Kb Half-Life at pH 7: 36.642 days
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.00):
Log BCF from regression-based method = 1.896 (BCF = 78.73 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9245 days (HL = 0.119 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.622 (BCF = 41.86)
Log BAF Arnot-Gobas method (upper trophic) = 1.622 (BAF = 41.86)
log Kow used: 3.38 (estimated)
Volatilization from Water:
Henry LC: 3.1E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2941 hours (122.6 days)
Half-Life from Model Lake : 3.222E+004 hours (1342 days)
Removal In Wastewater Treatment:
Total removal: 10.59 percent
Total biodegradation: 0.16 percent
Total sludge adsorption: 10.41 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.395 12.7 1000
Water 16.8 900 1000
Soil 81.3 1.8e+003 1000
Sediment 1.52 8.1e+003 0
Persistence Time: 1.16e+003 hr