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CAS Num: 057371-42-3

SMILES : O(c(c(OC)cc(c1)CC=C)c1)Cc(cccc2)c2

CHEM : Benzene, 2-methoxy-1-(phenylmethoxy)-4-(2-propenyl)-

MOL FOR: C17 H18 O2

MOL WT : 254.33

------------------------------ 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) = 4.74

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 351.90 (Adapted Stein & Brown method)

Melting Pt (deg C): 110.29 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.73E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0023 (Modified Grain method)

Subcooled liquid VP: 0.000119 mm Hg (25 deg C, Mod-Grain method)

: 0.0159 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2.008

log Kow used: 4.74 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.092266 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.21E-006 atm-m3/mole (2.23E-001 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: 2.883E-006 atm-m3/mole (2.921E-001 Pa-m3/mole)

VP: 1.73E-005 mm Hg (source: MPBPVP)

WS: 2.01 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 4.74 (KowWin est)

Log Kaw used: -4.044 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.784

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0730

Biowin2 (Non-Linear Model) : 0.9981

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4681 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5714 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3193

Biowin6 (MITI Non-Linear Model): 0.2052

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2176

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): 0.0159 Pa (0.000119 mm Hg)

Log Koa (Koawin est ): 8.784

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.000189

Octanol/air (Koa) model: 0.000149

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00678

Mackay model : 0.0149

Octanol/air (Koa) model: 0.0118

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 84.8271 E-12 cm3/molecule-sec

Half-Life = 0.126 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.513 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.0108 (Junge-Pankow, Mackay avg)

0.0118 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.275E+004 L/kg (MCI method)

Log Koc: 4.105 (MCI method)

Koc : 4558 L/kg (Kow method)

Log Koc: 3.659 (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 = 2.794 (BCF = 621.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1525 days (HL = 0.7039 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.449 (BCF = 281.1)

Log BAF Arnot-Gobas method (upper trophic) = 2.450 (BAF = 281.6)

log Kow used: 4.74 (estimated)

Volatilization from Water:

Henry LC: 2.21E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 424.1 hours (17.67 days)

Half-Life from Model Lake : 4760 hours (198.4 days)

Removal In Wastewater Treatment:

Total removal: 67.81 percent

Total biodegradation: 0.61 percent

Total sludge adsorption: 67.17 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.105 2.67 1000

Water 15.2 900 1000

Soil 73.5 1.8e+003 1000

Sediment 11.2 8.1e+003 0

Persistence Time: 1.18e+003 hr

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