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CAS Num: 028462-85-3

SMILES : OC(C(CC1C2)(C2)C)(C1(C)C)C

CHEM : Bicyclo[2.2.1]heptan-2-ol, 1,2,3,3-tetramethyl-, endo-

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) = 3.31

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

Boiling Pt (deg C): 210.08 (Adapted Stein & Brown method)

Melting Pt (deg C): 31.00 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.032 (Modified Grain method)

VP (Pa, 25 deg C) : 4.27 (Modified Grain method)

Subcooled liquid VP: 0.0362 mm Hg (25 deg C, Mod-Grain method)

: 4.83 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 305.1

log Kow used: 3.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 345.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 8.90E-006 atm-m3/mole (9.02E-001 Pa-m3/mole)

Group Method: 2.68E-006 atm-m3/mole (2.72E-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: 2.322E-005 atm-m3/mole (2.353E+000 Pa-m3/mole)

VP: 0.032 mm Hg (source: MPBPVP)

WS: 305 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.31 (KowWin est)

Log Kaw used: -3.439 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.749

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.1156

Biowin2 (Non-Linear Model) : 0.0105

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.1909 (months )

Biowin4 (Primary Survey Model) : 3.1446 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4876

Biowin6 (MITI Non-Linear Model): 0.3828

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8055

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): 4.83 Pa (0.0362 mm Hg)

Log Koa (Koawin est ): 6.749

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

Mackay model : 6.22E-007

Octanol/air (Koa) model: 1.38E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.24E-005

Mackay model : 4.97E-005

Octanol/air (Koa) model: 0.00011

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 5.0248 E-12 cm3/molecule-sec

Half-Life = 2.129 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 25.544 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

3.61E-005 (Junge-Pankow, Mackay avg)

0.00011 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 112.5 L/kg (MCI method)

Log Koc: 2.051 (MCI method)

Koc : 221.1 L/kg (Kow method)

Log Koc: 2.345 (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 = 1.848 (BCF = 70.41 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0813 days (HL = 1.206 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.177 (BCF = 150.2)

Log BAF Arnot-Gobas method (upper trophic) = 2.177 (BAF = 150.2)

log Kow used: 3.31 (estimated)

Volatilization from Water:

Henry LC: 2.68E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 284.7 hours (11.86 days)

Half-Life from Model Lake : 3215 hours (134 days)

Removal In Wastewater Treatment:

Total removal: 9.51 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 9.22 percent

Total to Air: 0.14 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.1 51.1 1000

Water 21.6 1.44e+003 1000

Soil 77.1 2.88e+003 1000

Sediment 0.165 1.3e+004 0

Persistence Time: 1.31e+003 hr

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