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CAS Num: 059056-70-1

SMILES : O=COCC(C(C1(C(C2)(C)C)CC3C4)(C14)C3(C)C)C2

CHEM : 2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, oc

tahydro-7,7,8,8-tetramethyl-, formate

MOL FOR: C17 H26 O2

MOL WT : 262.40

------------------------------ 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) = 5.05

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

Boiling Pt (deg C): 292.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 98.89 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00057 (Modified Grain method)

VP (Pa, 25 deg C) : 0.076 (Modified Grain method)

Subcooled liquid VP: 0.00298 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 0.9789

log Kow used: 5.05 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.15977 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 6.36E-004 atm-m3/mole (6.44E+001 Pa-m3/mole)

Group Method: 2.18E-005 atm-m3/mole (2.21E+000 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: 2.010E-004 atm-m3/mole (2.037E+001 Pa-m3/mole)

VP: 0.00057 mm Hg (source: MPBPVP)

WS: 0.979 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.05 (KowWin est)

Log Kaw used: -1.585 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.635

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.0611

Biowin2 (Non-Linear Model) : 0.0285

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.9110 (months )

Biowin4 (Primary Survey Model) : 3.0844 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7130

Biowin6 (MITI Non-Linear Model): 0.5144

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9830

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): 0.397 Pa (0.00298 mm Hg)

Log Koa (Koawin est ): 6.635

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

Mackay model : 7.55E-006

Octanol/air (Koa) model: 1.06E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000273

Mackay model : 0.000604

Octanol/air (Koa) model: 8.47E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.3008 E-12 cm3/molecule-sec

Half-Life = 1.465 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 17.581 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000438 (Junge-Pankow, Mackay avg)

8.47E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8349 L/kg (MCI method)

Log Koc: 3.922 (MCI method)

Koc : 4496 L/kg (Kow method)

Log Koc: 3.653 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 8.316E+000 L/mol-sec

Kb Half-Life at pH 8: 23.152 hours

Kb Half-Life at pH 7: 9.647 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.000 (BCF = 1000 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3214 days (HL = 0.4771 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.291 (BCF = 195.6)

Log BAF Arnot-Gobas method (upper trophic) = 2.292 (BAF = 195.8)

log Kow used: 5.05 (estimated)

Volatilization from Water:

Henry LC: 2.18E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 45.16 hours (1.882 days)

Half-Life from Model Lake : 628.5 hours (26.19 days)

Removal In Wastewater Treatment:

Total removal: 79.30 percent

Total biodegradation: 0.69 percent

Total sludge adsorption: 78.42 percent

Total to Air: 0.19 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.72 35.2 1000

Water 11.5 1.44e+003 1000

Soil 80.5 2.88e+003 1000

Sediment 7.23 1.3e+004 0

Persistence Time: 1.71e+003 hr

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