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CAS Number: 4917-90-2

SMILES : c(cc(c1)C(C)CC)c(c1)OC

CHEM : BENZENE, 1-METHOXY-4-(1-METHYLPROPYL)-

MOL FOR: C11 H16 O1

MOL WT : 164.25

------------------------------ 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) = 4.02

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

Boiling Pt (deg C): 219.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 0.48 (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 v1.42):

Water Solubility at 25 deg C (mg/L): 24.09

log Kow used: 4.02 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 16.217 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 8.23E-004 atm-m3/mole (8.34E+001 Pa-m3/mole)

Group Method: 1.41E-002 atm-m3/mole (1.43E+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: 1.238E-003 atm-m3/mole (1.254E+002 Pa-m3/mole)

VP: 0.138 mm Hg (source: MPBPVP)

WS: 24.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.02 (KowWin est)

Log Kaw used: -1.473 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.493

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8559

Biowin2 (Non-Linear Model) : 0.9707

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7032 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6194 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4925

Biowin6 (MITI Non-Linear Model): 0.5836

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3383

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 ): 5.493

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

Mackay model : 1.76E-007

Octanol/air (Koa) model: 7.64E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.35E-006

Mackay model : 1.41E-005

Octanol/air (Koa) model: 6.11E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.5765 E-12 cm3/molecule-sec

Half-Life = 0.350 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.198 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

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

6.11E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 852.9 L/kg (MCI method)

Log Koc: 2.931 (MCI method)

Koc : 1602 L/kg (Kow method)

Log Koc: 3.205 (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 = 2.320 (BCF = 209 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.3206 days (HL = 2.092 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.688 (BCF = 487.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.689 (BAF = 489)

log Kow used: 4.02 (estimated)

Volatilization from Water:

Henry LC: 0.0141 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.361 hours

Half-Life from Model Lake : 122.3 hours (5.096 days)

Removal In Wastewater Treatment:

Total removal: 87.17 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 20.09 percent

Total to Air: 66.97 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 4.48 8.4 1000

Water 40.1 900 1000

Soil 53.6 1.8e+003 1000

Sediment 1.89 8.1e+003 0

Persistence Time: 198 hr

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