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CAS Number: 63511-93-3

SMILES : COC(C=Cc1ccccc1)OC

CHEM :

MOL FOR: C11 H14 O2

MOL WT : 178.23

------------------------------ 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) = 2.21

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

Boiling Pt (deg C): 243.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0378 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 5.04 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 732.9

log Kow used: 2.21 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1528.6 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 : 2.97E-006 atm-m3/mole (3.01E-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: 1.210E-005 atm-m3/mole (1.226E+000 Pa-m3/mole)

VP: 0.0378 mm Hg (source: MPBPVP)

WS: 733 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.21 (KowWin est)

Log Kaw used: -3.916 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.126

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0961

Biowin2 (Non-Linear Model) : 0.0101

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8100 (weeks )

Biowin4 (Primary Survey Model) : 3.5760 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1885

Biowin6 (MITI Non-Linear Model): 0.0965

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.4094

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): 4.87 Pa (0.0365 mm Hg)

Log Koa (Koawin est ): 6.126

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

Mackay model : 6.16E-007

Octanol/air (Koa) model: 3.28E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.23E-005

Mackay model : 4.93E-005

Octanol/air (Koa) model: 2.62E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 66.9928 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 74.5928 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.916 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.721 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):

3.58E-005 (Junge-Pankow, Mackay avg)

2.62E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 149.3 L/kg (MCI method)

Log Koc: 2.174 (MCI method)

Koc : 92.54 L/kg (Kow method)

Log Koc: 1.966 (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 = 1.123 (BCF = 13.27 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5648 days (HL = 0.2724 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.170 (BCF = 14.77)

Log BAF Arnot-Gobas method (upper trophic) = 1.170 (BAF = 14.77)

log Kow used: 2.21 (estimated)

Volatilization from Water:

Henry LC: 2.97E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 264.5 hours (11.02 days)

Half-Life from Model Lake : 2998 hours (124.9 days)

Removal In Wastewater Treatment:

Total removal: 2.66 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.39 percent

Total to Air: 0.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.212 1.96 1000

Water 27.1 360 1000

Soil 72.5 720 1000

Sediment 0.209 3.24e+003 0

Persistence Time: 442 hr

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