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CAS Num: 004125-43-3

SMILES : O(c(c(OC)ccc1)c1)CC=C

CHEM : Benzene, 1-methoxy-2-(2-propenyloxy)-

MOL FOR: C10 H12 O2

MOL WT : 164.21

------------------------------ 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) = 2.48

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

Boiling Pt (deg C): 229.65 (Adapted Stein & Brown method)

Melting Pt (deg C): 15.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0796 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 10.6 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 495.2

log Kow used: 2.48 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L ( deg C)

Exper. Ref: BEILSTEIN

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 54.377 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ethers

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

Bond Method : 2.48E-005 atm-m3/mole (2.51E+000 Pa-m3/mole)

Group Method: 4.88E-003 atm-m3/mole (4.95E+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: 3.473E-005 atm-m3/mole (3.519E+000 Pa-m3/mole)

VP: 0.0796 mm Hg (source: MPBPVP)

WS: 495 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.48 (KowWin est)

Log Kaw used: -2.994 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.474

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9332

Biowin2 (Non-Linear Model) : 0.9944

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7201 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7651 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7154

Biowin6 (MITI Non-Linear Model): 0.8093

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5362

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): 10 Pa (0.075 mm Hg)

Log Koa (Koawin est ): 5.474

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

Mackay model : 3E-007

Octanol/air (Koa) model: 7.31E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.08E-005

Mackay model : 2.4E-005

Octanol/air (Koa) model: 5.85E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 51.4282 E-12 cm3/molecule-sec

Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.496 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):

1.74E-005 (Junge-Pankow, Mackay avg)

5.85E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 202.8 L/kg (MCI method)

Log Koc: 2.307 (MCI method)

Koc : 256.3 L/kg (Kow method)

Log Koc: 2.409 (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 = 1.306 (BCF = 20.22 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1299 days (HL = 0.7414 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.470 (BCF = 29.54)

Log BAF Arnot-Gobas method (upper trophic) = 1.470 (BAF = 29.54)

log Kow used: 2.48 (estimated)

Volatilization from Water:

Henry LC: 0.00488 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.461 hours

Half-Life from Model Lake : 123.4 hours (5.141 days)

Removal In Wastewater Treatment:

Total removal: 66.34 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 1.64 percent

Total to Air: 64.65 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.8 4.1 1000

Water 49.2 900 1000

Soil 47.4 1.8e+003 1000

Sediment 0.585 8.1e+003 0

Persistence Time: 165 hr

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