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CAS Num: 006380-23-0

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

CHEM : Benzene, 4-ethenyl-1,2-dimethoxy-

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) = 2.54

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

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

Melting Pt (deg C): 21.94 (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): 443.4

log Kow used: 2.54 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 55.856 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.67E-006 atm-m3/mole (9.80E-001 Pa-m3/mole)

Group Method: 1.86E-003 atm-m3/mole (1.88E+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: 3.879E-005 atm-m3/mole (3.930E+000 Pa-m3/mole)

VP: 0.0796 mm Hg (source: MPBPVP)

WS: 443 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.54 (KowWin est)

Log Kaw used: -3.403 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.943

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) : 0.6581

Biowin6 (MITI Non-Linear Model): 0.7141

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5261

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 (0.0751 mm Hg)

Log Koa (Koawin est ): 5.943

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

Mackay model : 3E-007

Octanol/air (Koa) model: 2.15E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.08E-005

Mackay model : 2.4E-005

Octanol/air (Koa) model: 1.72E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 45.4472 E-12 cm3/molecule-sec

Half-Life = 0.235 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.824 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec

Half-Life = 0.546 Days (at 7E11 mol/cm3)

Half-Life = 13.097 Hrs

Fraction sorbed to airborne particulates (phi):

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

1.72E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 186.9 L/kg (MCI method)

Log Koc: 2.272 (MCI method)

Koc : 276.6 L/kg (Kow method)

Log Koc: 2.442 (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 = 1.343 (BCF = 22.02 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1581 days (HL = 0.6948 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.516 (BCF = 32.81)

Log BAF Arnot-Gobas method (upper trophic) = 1.516 (BAF = 32.81)

log Kow used: 2.54 (estimated)

Volatilization from Water:

Henry LC: 0.00186 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.711 hours

Half-Life from Model Lake : 126.1 hours (5.255 days)

Removal In Wastewater Treatment:

Total removal: 44.39 percent

Total biodegradation: 0.07 percent

Total sludge adsorption: 2.23 percent

Total to Air: 42.09 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.65 3.95 1000

Water 33.6 900 1000

Soil 64.3 1.8e+003 1000

Sediment 0.373 8.1e+003 0

Persistence Time: 256 hr

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