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CAS Number:

SMILES : Cc1ccc(cc1)CC=COC

CHEM :

MOL FOR: C11 H14 O1

MOL WT : 162.23

------------------------------ 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) = 3.09

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

Boiling Pt (deg C): 235.97 (Adapted Stein & Brown method)

Melting Pt (deg C): 10.39 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0572 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 7.63 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 153.8

log Kow used: 3.09 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 252.25 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 : 8.00E-004 atm-m3/mole (8.11E+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: 7.939E-005 atm-m3/mole (8.044E+000 Pa-m3/mole)

VP: 0.0572 mm Hg (source: MPBPVP)

WS: 154 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.09 (KowWin est)

Log Kaw used: -1.485 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.575

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4323

Biowin2 (Non-Linear Model) : 0.1722

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6823 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4669 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2624

Biowin6 (MITI Non-Linear Model): 0.1787

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.5231

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): 7.27 Pa (0.0545 mm Hg)

Log Koa (Koawin est ): 4.575

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

Mackay model : 4.13E-007

Octanol/air (Koa) model: 9.23E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.49E-005

Mackay model : 3.3E-005

Octanol/air (Koa) model: 7.38E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 81.4211 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 91.3011 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.576 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.406 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.843750 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 5.687500 E-17 cm3/molecule-sec [Trans-]

Half-Life = 9.672 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 4.836 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Fraction sorbed to airborne particulates (phi):

2.4E-005 (Junge-Pankow, Mackay avg)

7.38E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 582.3 L/kg (MCI method)

Log Koc: 2.765 (MCI method)

Koc : 349.7 L/kg (Kow method)

Log Koc: 2.544 (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 = 1.705 (BCF = 50.74 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.0138 days (HL = 0.9687 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.993 (BCF = 98.43)

Log BAF Arnot-Gobas method (upper trophic) = 1.993 (BAF = 98.43)

log Kow used: 3.09 (estimated)

Volatilization from Water:

Henry LC: 0.0008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.232 hours

Half-Life from Model Lake : 131.1 hours (5.464 days)

Removal In Wastewater Treatment:

Total removal: 29.69 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 5.54 percent

Total to Air: 24.05 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.337 2.38 1000

Water 14.9 900 1000

Soil 84.3 1.8e+003 1000

Sediment 0.479 8.1e+003 0

Persistence Time: 624 hr

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