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CAS Number: 10484-36-3

SMILES : O(c(c(OC)cc(c1)C=CC)c1)CCCCC

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

MOL FOR: C15 H22 O2

MOL WT : 234.34

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.92

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

Boiling Pt (deg C): 316.22 (Adapted Stein & Brown method)

Melting Pt (deg C): 73.73 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000284 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0379 (Modified Grain method)

Subcooled liquid VP: 0.000821 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 1.823

log Kow used: 4.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.35193 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.71E-005 atm-m3/mole (4.77E+000 Pa-m3/mole)

Group Method: 6.89E-003 atm-m3/mole (6.99E+002 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: 4.804E-005 atm-m3/mole (4.867E+000 Pa-m3/mole)

VP: 0.000284 mm Hg (source: MPBPVP)

WS: 1.82 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.92 (KowWin est)

Log Kaw used: -2.715 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.635

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0082

Biowin2 (Non-Linear Model) : 0.9976

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8634 (weeks )

Biowin4 (Primary Survey Model) : 3.9329 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6414

Biowin6 (MITI Non-Linear Model): 0.6456

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3063

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): 0.109 Pa (0.000821 mm Hg)

Log Koa (Koawin est ): 7.635

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

Mackay model : 2.74E-005

Octanol/air (Koa) model: 1.06E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000989

Mackay model : 0.00219

Octanol/air (Koa) model: 0.000847

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 88.6114 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 96.2114 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.448 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.334 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 6.825000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 4.030 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 2.015 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

0.00159 (Junge-Pankow, Mackay avg)

0.000847 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3757 L/kg (MCI method)

Log Koc: 3.575 (MCI method)

Koc : 5732 L/kg (Kow method)

Log Koc: 3.758 (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 = 2.911 (BCF = 815 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6697 days (HL = 4.674 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.183 (BCF = 1526)

Log BAF Arnot-Gobas method (upper trophic) = 3.218 (BAF = 1653)

log Kow used: 4.92 (estimated)

Volatilization from Water:

Henry LC: 0.00689 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.692 hours

Half-Life from Model Lake : 146.8 hours (6.117 days)

Removal In Wastewater Treatment:

Total removal: 87.35 percent

Total biodegradation: 0.40 percent

Total sludge adsorption: 60.27 percent

Total to Air: 26.68 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.403 1.69 1000

Water 18.8 360 1000

Soil 78.6 720 1000

Sediment 2.2 3.24e+003 0

Persistence Time: 332 hr

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