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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