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CAS Number: 25226-98-6

SMILES : CCOC(C=Cc1ccccc1)OCC

CHEM :

MOL FOR: C13 H18 O2

MOL WT : 206.29

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 3.19

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

Boiling Pt (deg C): 277.64 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00606 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.808 (Mean VP of Antoine & Grain methods)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 76.82

log Kow used: 3.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 149.19 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 5.24E-006 atm-m3/mole (5.31E-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: 2.141E-005 atm-m3/mole (2.170E+000 Pa-m3/mole)

VP: 0.00606 mm Hg (source: MPBPVP)

WS: 76.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.19 (KowWin est)

Log Kaw used: -3.669 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.859

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0827

Biowin2 (Non-Linear Model) : 0.0068

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7480 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5355 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2038

Biowin6 (MITI Non-Linear Model): 0.1008

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3574

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): 0.845 Pa (0.00634 mm Hg)

Log Koa (Koawin est ): 6.859

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

Mackay model : 3.55E-006

Octanol/air (Koa) model: 1.77E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000128

Mackay model : 0.000284

Octanol/air (Koa) model: 0.000142

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 77.6804 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 85.2804 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.652 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.505 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):

0.000206 (Junge-Pankow, Mackay avg)

0.000142 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 495.8 L/kg (MCI method)

Log Koc: 2.695 (MCI method)

Koc : 322.4 L/kg (Kow method)

Log Koc: 2.508 (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 v3.01):

Log BCF from regression-based method = 1.771 (BCF = 59.02 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.2865 days (HL = 0.517 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.967 (BCF = 92.65)

Log BAF Arnot-Gobas method (upper trophic) = 1.967 (BAF = 92.65)

log Kow used: 3.19 (estimated)

Volatilization from Water:

Henry LC: 5.24E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 161.9 hours (6.748 days)

Half-Life from Model Lake : 1887 hours (78.63 days)

Removal In Wastewater Treatment:

Total removal: 7.94 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.52 percent

Total to Air: 0.28 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0878 1.82 1000

Water 19 900 1000

Soil 80.4 1.8e+003 1000

Sediment 0.521 8.1e+003 0

Persistence Time: 1.01e+003 hr

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