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CAS Num: 000470-82-6

SMILES : O(C(CCC1C2)(C2)C)C1(C)C

CHEM : 2-Oxabicyclo 2.2.2 octane, 1,3,3-trimethyl-

MOL FOR: C10 H18 O1

MOL WT : 154.25

------------------------------ 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) = 3.13

Log Kow (Exper. database match) = 2.74

Exper. Ref: GRIFFIN,S ET AL. (1999)

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

Boiling Pt (deg C): 174.13 (Adapted Stein & Brown method)

Melting Pt (deg C): 8.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.56 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 208 (Mean VP of Antoine & Grain methods)

MP (exp database): 1.5 deg C

BP (exp database): 176.4 deg C

VP (exp database): 1.90E+00 mm Hg (2.53E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 332.1

log Kow used: 2.74 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 3500 mg/L (21 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 551.66 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.04E-004 atm-m3/mole (2.06E+001 Pa-m3/mole)

Group Method: 1.31E-004 atm-m3/mole (1.33E+001 Pa-m3/mole)

Exper Database: 1.10E-04 atm-m3/mole (1.11E+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: 9.534E-004 atm-m3/mole (9.660E+001 Pa-m3/mole)

VP: 1.56 mm Hg (source: MPBPVP)

WS: 332 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.74 (exp database)

Log Kaw used: -2.347 (exp database)

Log Koa (KOAWIN v1.10 estimate): 5.087

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : -0.0411

Biowin2 (Non-Linear Model) : 0.0023

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4254 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3086 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4825

Biowin6 (MITI Non-Linear Model): 0.4105

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.7689

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): 253 Pa (1.9 mm Hg)

Log Koa (Koawin est ): 5.087

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

Mackay model : 1.18E-008

Octanol/air (Koa) model: 3E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 4.28E-007

Mackay model : 9.47E-007

Octanol/air (Koa) model: 2.4E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 22.5684 E-12 cm3/molecule-sec

Half-Life = 0.474 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.687 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.88E-007 (Junge-Pankow, Mackay avg)

2.4E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 221.2 L/kg (MCI method)

Log Koc: 2.345 (MCI method)

Koc : 223.9 L/kg (Kow method)

Log Koc: 2.350 (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 = 1.475 (BCF = 29.84 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0700 days (HL = 1.175 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.720 (BCF = 52.45)

Log BAF Arnot-Gobas method (upper trophic) = 1.720 (BAF = 52.45)

log Kow used: 2.74 (expkow database)

Volatilization from Water:

Henry LC: 0.00011 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 7.878 hours

Half-Life from Model Lake : 190.1 hours (7.92 days)

Removal In Wastewater Treatment:

Total removal: 9.05 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.76 percent

Total to Air: 5.19 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.55 23.1 1000

Water 17.9 900 1000

Soil 80.3 1.8e+003 1000

Sediment 0.23 8.1e+003 0

Persistence Time: 802 hr

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