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CAS Num: 005331-32-8

SMILES : O(C(C(C(C1C2)(C)C)(C2)C)C1)C

CHEM : Bicyclo 2.2.1 heptane, 2-methoxy-1,7,7-trimethyl-, exo-

MOL FOR: C11 H20 O1

MOL WT : 168.28

------------------------------ 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) = 3.55

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

Boiling Pt (deg C): 182.22 (Adapted Stein & Brown method)

Melting Pt (deg C): 13.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.19 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 159 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 58.15

log Kow used: 3.55 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 182.19 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.15E-003 atm-m3/mole (2.17E+002 Pa-m3/mole)

Group Method: 4.06E-004 atm-m3/mole (4.11E+001 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: 4.531E-003 atm-m3/mole (4.591E+002 Pa-m3/mole)

VP: 1.19 mm Hg (source: MPBPVP)

WS: 58.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.55 (KowWin est)

Log Kaw used: -1.056 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.606

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0478

Biowin2 (Non-Linear Model) : 0.0019

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.3944 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2883 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4339

Biowin6 (MITI Non-Linear Model): 0.2473

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6891

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): 145 Pa (1.09 mm Hg)

Log Koa (Koawin est ): 4.606

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

Mackay model : 2.06E-008

Octanol/air (Koa) model: 9.91E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.46E-007

Mackay model : 1.65E-006

Octanol/air (Koa) model: 7.93E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.9815 E-12 cm3/molecule-sec

Half-Life = 0.630 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.558 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

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

7.93E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 403.9 L/kg (MCI method)

Log Koc: 2.606 (MCI method)

Koc : 628.2 L/kg (Kow method)

Log Koc: 2.798 (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 = 2.010 (BCF = 102.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.4447 days (HL = 2.784 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.454 (BCF = 284.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.455 (BAF = 284.9)

log Kow used: 3.55 (estimated)

Volatilization from Water:

Henry LC: 0.000406 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.194 hours

Half-Life from Model Lake : 143.6 hours (5.984 days)

Removal In Wastewater Treatment:

Total removal: 26.66 percent

Total biodegradation: 0.17 percent

Total sludge adsorption: 13.05 percent

Total to Air: 13.44 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.53 15.1 1000

Water 15.2 900 1000

Soil 83 1.8e+003 1000

Sediment 0.34 8.1e+003 0

Persistence Time: 692 hr

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