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CAS Number: 80623-07-0


CHEM : 4,7-Methano-3aH-indene-3a-carboxylic acid, octahydro-, ethylester, (3


MOL FOR: C13 H20 O2

MOL WT : 208.30

------------------------------ 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) = 3.59

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

Boiling Pt (deg C): 261.27 (Adapted Stein & Brown method)

Melting Pt (deg C): 57.15 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00749 (Modified Grain method)

VP (Pa, 25 deg C) : 0.999 (Modified Grain method)

Subcooled liquid VP: 0.0149 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 34.14

log Kow used: 3.59 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13.723 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.56E-004 atm-m3/mole (2.59E+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: 6.013E-005 atm-m3/mole (6.093E+000 Pa-m3/mole)

VP: 0.00749 mm Hg (source: MPBPVP)

WS: 34.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.59 (KowWin est)

Log Kaw used: -1.980 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.570

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6386

Biowin2 (Non-Linear Model) : 0.9174

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6669 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6227 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7093

Biowin6 (MITI Non-Linear Model): 0.6978

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0184

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): 1.99 Pa (0.0149 mm Hg)

Log Koa (Koawin est ): 5.570

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

Mackay model : 1.51E-006

Octanol/air (Koa) model: 9.12E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.45E-005

Mackay model : 0.000121

Octanol/air (Koa) model: 7.3E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.1983 E-12 cm3/molecule-sec

Half-Life = 0.955 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.462 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.77E-005 (Junge-Pankow, Mackay avg)

7.3E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1263 L/kg (MCI method)

Log Koc: 3.101 (MCI method)

Koc : 700.2 L/kg (Kow method)

Log Koc: 2.845 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.070E-002 L/mol-sec

Kb Half-Life at pH 8: 158.228 days

Kb Half-Life at pH 7: 4.332 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.035 (BCF = 108.4 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4949 days (HL = 0.32 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.007 (BCF = 101.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.007 (BAF = 101.5)

log Kow used: 3.59 (estimated)

Volatilization from Water:

Henry LC: 0.000256 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.774 hours

Half-Life from Model Lake : 173.1 hours (7.212 days)

Removal In Wastewater Treatment:

Total removal: 23.74 percent

Total biodegradation: 0.19 percent

Total sludge adsorption: 14.32 percent

Total to Air: 9.24 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.37 22.9 1000

Water 12.3 900 1000

Soil 85.4 1.8e+003 1000

Sediment 0.87 8.1e+003 0

Persistence Time: 911 hr

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