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CAS Num: 031574-44-4

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

CHEM : Benzene, 1-methoxy-4-methyl-2-(1-methylethyl)-

MOL FOR: C11 H16 O1

MOL WT : 164.25

------------------------------ 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) = 4.08

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

Boiling Pt (deg C): 219.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 6.74 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.138 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 18.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 21.57

log Kow used: 4.08 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16.658 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.84E-004 atm-m3/mole (6.93E+001 Pa-m3/mole)

Group Method: 1.07E-002 atm-m3/mole (1.08E+003 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: 1.383E-003 atm-m3/mole (1.401E+002 Pa-m3/mole)

VP: 0.138 mm Hg (source: MPBPVP)

WS: 21.6 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.08 (KowWin est)

Log Kaw used: -1.553 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.633

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9106

Biowin2 (Non-Linear Model) : 0.9834

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6284 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5508 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4763

Biowin6 (MITI Non-Linear Model): 0.5237

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0360

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): 17.1 Pa (0.128 mm Hg)

Log Koa (Koawin est ): 5.633

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

Mackay model : 1.76E-007

Octanol/air (Koa) model: 1.05E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.35E-006

Mackay model : 1.41E-005

Octanol/air (Koa) model: 8.44E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 34.9621 E-12 cm3/molecule-sec

Half-Life = 0.306 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.671 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.02E-005 (Junge-Pankow, Mackay avg)

8.44E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 732 L/kg (MCI method)

Log Koc: 2.865 (MCI method)

Koc : 1729 L/kg (Kow method)

Log Koc: 3.238 (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 = 2.357 (BCF = 227.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1382 days (HL = 1.375 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.597 (BCF = 395.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.598 (BAF = 396)

log Kow used: 4.08 (estimated)

Volatilization from Water:

Henry LC: 0.0107 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.378 hours

Half-Life from Model Lake : 122.5 hours (5.104 days)

Removal In Wastewater Treatment:

Total removal: 84.43 percent

Total biodegradation: 0.13 percent

Total sludge adsorption: 22.73 percent

Total to Air: 61.56 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.74 7.34 1000

Water 38.2 900 1000

Soil 56.5 1.8e+003 1000

Sediment 1.54 8.1e+003 0

Persistence Time: 208 hr

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