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CAS Num: 000104-93-8

SMILES : O(c(ccc(c1)C)c1)C

CHEM : Benzene, 1-methoxy-4-methyl-

MOL FOR: C8 H10 O1

MOL WT : 122.17

------------------------------ 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) = 2.62

Log Kow (Exper. database match) = 2.66

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 170.80 (Adapted Stein & Brown method)

Melting Pt (deg C): -23.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.2 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 160 (Mean VP of Antoine & Grain methods)

MP (exp database): -32 deg C

BP (exp database): 175.5 deg C

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

Water Solubility at 25 deg C (mg/L): 527.1

log Kow used: 2.66 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 293.93 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.52E-004 atm-m3/mole (3.56E+001 Pa-m3/mole)

Group Method: 4.66E-003 atm-m3/mole (4.72E+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: 3.660E-004 atm-m3/mole (3.708E+001 Pa-m3/mole)

VP: 1.2 mm Hg (source: MPBPVP)

WS: 527 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.66 (exp database)

Log Kaw used: -1.842 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.502

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8760

Biowin2 (Non-Linear Model) : 0.9837

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7962 (weeks )

Biowin4 (Primary Survey Model) : 3.6801 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6187

Biowin6 (MITI Non-Linear Model): 0.7556

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1810

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 145 Pa (1.09 mm Hg)

Log Koa (Koawin est ): 4.502

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

Mackay model : 2.06E-008

Octanol/air (Koa) model: 7.8E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.46E-007

Mackay model : 1.65E-006

Octanol/air (Koa) model: 6.24E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.3265 E-12 cm3/molecule-sec

Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.697 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.2E-006 (Junge-Pankow, Mackay avg)

6.24E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 149.9 L/kg (MCI method)

Log Koc: 2.176 (MCI method)

Koc : 283.4 L/kg (Kow method)

Log Koc: 2.452 (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 = 1.422 (BCF = 26.43 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1284 days (HL = 0.744 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.623 (BCF = 42.02)

Log BAF Arnot-Gobas method (upper trophic) = 1.623 (BAF = 42.02)

log Kow used: 2.66 (expkow database)

Volatilization from Water:

Henry LC: 0.00466 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.267 hours

Half-Life from Model Lake : 106.5 hours (4.437 days)

Removal In Wastewater Treatment:

Total removal: 65.46 percent

Total biodegradation: 0.05 percent

Total sludge adsorption: 2.10 percent

Total to Air: 63.31 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.97 9.39 1000

Water 48.9 360 1000

Soil 43.7 720 1000

Sediment 0.378 3.24e+003 0

Persistence Time: 130 hr

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