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CAS Num: 064644-32-2

SMILES : O=COCC(CC(C(CC1C2)C2)C13)C3

CHEM : 4,7-Methano-1H-indene-2-methanol, octahydro-, formate

MOL FOR: C12 H18 O2

MOL WT : 194.28

------------------------------ 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) = 3.01

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

Boiling Pt (deg C): 249.75 (Adapted Stein & Brown method)

Melting Pt (deg C): 42.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0188 (Modified Grain method)

VP (Pa, 25 deg C) : 2.5 (Modified Grain method)

Subcooled liquid VP: 0.0269 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 126.8

log Kow used: 3.01 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 19.036 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 3.50E-004 atm-m3/mole (3.54E+001 Pa-m3/mole)

Group Method: 2.34E-005 atm-m3/mole (2.37E+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: 3.790E-005 atm-m3/mole (3.840E+000 Pa-m3/mole)

VP: 0.0188 mm Hg (source: MPBPVP)

WS: 127 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.01 (KowWin est)

Log Kaw used: -1.844 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.854

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8292

Biowin2 (Non-Linear Model) : 0.9870

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9101 (weeks )

Biowin4 (Primary Survey Model) : 3.7964 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6882

Biowin6 (MITI Non-Linear Model): 0.5813

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6311

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 3.59 Pa (0.0269 mm Hg)

Log Koa (Koawin est ): 4.854

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

Mackay model : 8.36E-007

Octanol/air (Koa) model: 1.75E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.02E-005

Mackay model : 6.69E-005

Octanol/air (Koa) model: 1.4E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 14.2595 E-12 cm3/molecule-sec

Half-Life = 0.750 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 9.001 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.86E-005 (Junge-Pankow, Mackay avg)

1.4E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 776.4 L/kg (MCI method)

Log Koc: 2.890 (MCI method)

Koc : 334.5 L/kg (Kow method)

Log Koc: 2.524 (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 = 1.650 (BCF = 44.69 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6558 days (HL = 0.2209 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.688 (BCF = 48.78)

Log BAF Arnot-Gobas method (upper trophic) = 1.688 (BAF = 48.78)

log Kow used: 3.01 (estimated)

Volatilization from Water:

Henry LC: 2.34E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 36.3 hours (1.512 days)

Half-Life from Model Lake : 512.8 hours (21.37 days)

Removal In Wastewater Treatment:

Total removal: 6.96 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 5.61 percent

Total to Air: 1.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.6 18 1000

Water 23.6 360 1000

Soil 74.1 720 1000

Sediment 0.672 3.24e+003 0

Persistence Time: 459 hr

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