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CAS Num: 007492-41-3

SMILES : C1(C)(C)C2(CCC1CC2OC(=O))C

CHEM :

MOL FOR: C11 H18 O2

MOL WT : 182.26

------------------------------ 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): 208.55 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.06 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.199 (Modified Grain method)

VP (Pa, 25 deg C) : 26.5 (Modified Grain method)

Subcooled liquid VP: 0.216 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 80.06

log Kow used: 3.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 82.719 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 5.98E-004 atm-m3/mole (6.06E+001 Pa-m3/mole)

Group Method: 1.65E-004 atm-m3/mole (1.68E+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: 5.961E-004 atm-m3/mole (6.040E+001 Pa-m3/mole)

VP: 0.199 mm Hg (source: MPBPVP)

WS: 80.1 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: -1.612 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.922

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4671

Biowin2 (Non-Linear Model) : 0.7415

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5124 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5069 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7342

Biowin6 (MITI Non-Linear Model): 0.7344

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1804

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): 28.8 Pa (0.216 mm Hg)

Log Koa (Koawin est ): 4.922

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

Mackay model : 1.04E-007

Octanol/air (Koa) model: 2.05E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.76E-006

Mackay model : 8.33E-006

Octanol/air (Koa) model: 1.64E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.6991 E-12 cm3/molecule-sec

Half-Life = 1.389 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 16.671 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.05E-006 (Junge-Pankow, Mackay avg)

1.64E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 276.4 L/kg (MCI method)

Log Koc: 2.442 (MCI method)

Koc : 490.2 L/kg (Kow method)

Log Koc: 2.690 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.171E+001 L/mol-sec

Kb Half-Life at pH 8: 16.436 hours

Kb Half-Life at pH 7: 6.848 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.851 (BCF = 70.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6477 days (HL = 0.225 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.815 (BCF = 65.36)

Log BAF Arnot-Gobas method (upper trophic) = 1.815 (BAF = 65.36)

log Kow used: 3.31 (estimated)

Volatilization from Water:

Henry LC: 0.000165 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 6.168 hours

Half-Life from Model Lake : 180.5 hours (7.52 days)

Removal In Wastewater Treatment:

Total removal: 15.93 percent

Total biodegradation: 0.15 percent

Total sludge adsorption: 8.88 percent

Total to Air: 6.90 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.17 33.3 1000

Water 16.6 900 1000

Soil 81 1.8e+003 1000

Sediment 0.26 8.1e+003 0

Persistence Time: 785 hr

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