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CAS Number: 67392-15-8


CHEM : Bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 1-methyl-4-(1-methylethyl)

-, methyl ester

MOL FOR: C14 H22 O2

MOL WT : 222.33

------------------------------ EPI SUMMARY (v4.00) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 4.62

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

Boiling Pt (deg C): 259.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 56.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00814 (Modified Grain method)

VP (Pa, 25 deg C) : 1.08 (Modified Grain method)

Subcooled liquid VP: 0.0159 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 3.762

log Kow used: 4.62 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.983 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 6.77E-004 atm-m3/mole (6.86E+001 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 6.330E-004 atm-m3/mole (6.414E+001 Pa-m3/mole)

VP: 0.00814 mm Hg (source: MPBPVP)

WS: 3.76 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.62 (KowWin est)

Log Kaw used: -1.558 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.178

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4480

Biowin2 (Non-Linear Model) : 0.6189

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4238 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4490 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5647

Biowin6 (MITI Non-Linear Model): 0.4916

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6123

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): 2.12 Pa (0.0159 mm Hg)

Log Koa (Koawin est ): 6.178

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

Mackay model : 1.42E-006

Octanol/air (Koa) model: 3.7E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.11E-005

Mackay model : 0.000113

Octanol/air (Koa) model: 2.96E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 64.6546 E-12 cm3/molecule-sec

Half-Life = 0.165 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.985 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

8.22E-005 (Junge-Pankow, Mackay avg)

2.96E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1507 L/kg (MCI method)

Log Koc: 3.178 (MCI method)

Koc : 2600 L/kg (Kow method)

Log Koc: 3.415 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 3.146E-006 L/mol-sec

Kb Half-Life at pH 8: 6980.589 years

Kb Half-Life at pH 7: 6.981E+004 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.718 (BCF = 522.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1075 days (HL = 0.7807 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.485 (BCF = 305.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.486 (BAF = 306)

log Kow used: 4.62 (estimated)

Volatilization from Water:

Henry LC: 0.000677 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.811 hours

Half-Life from Model Lake : 155.7 hours (6.487 days)

Removal In Wastewater Treatment:

Total removal: 67.25 percent

Total biodegradation: 0.51 percent

Total sludge adsorption: 58.23 percent

Total to Air: 8.51 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.363 3.87 1000

Water 11.5 900 1000

Soil 87.2 1.8e+003 1000

Sediment 0.972 8.1e+003 0

Persistence Time: 816 hr

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