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CAS Number: 42594-17-2

SMILES : O=C(OCC(C(C(CC1C2)C2)C1C3)(C3)COC(=O)C=C)C=C

CHEM : 2-Propenoic acid, (octahydro-4,7-methano-1H-indene-5,?-diyl)bis(methy

lene) ester

MOL FOR: C18 H24 O4

MOL WT : 304.39

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 4.26

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

Boiling Pt (deg C): 339.02 (Adapted Stein & Brown method)

Melting Pt (deg C): 48.31 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000147 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0196 (Modified Grain method)

Subcooled liquid VP: 0.00024 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 2.681

log Kow used: 4.26 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.59914 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Acrylates

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

Bond Method : 2.25E-007 atm-m3/mole (2.28E-002 Pa-m3/mole)

Group Method: 1.12E-009 atm-m3/mole (1.13E-004 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: 2.196E-005 atm-m3/mole (2.225E+000 Pa-m3/mole)

VP: 0.000147 mm Hg (source: MPBPVP)

WS: 2.68 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.26 (KowWin est)

Log Kaw used: -5.036 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.296

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7671

Biowin2 (Non-Linear Model) : 0.9941

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5948 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7131 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8460

Biowin6 (MITI Non-Linear Model): 0.6736

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0141

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): 0.032 Pa (0.00024 mm Hg)

Log Koa (Koawin est ): 9.296

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

Mackay model : 9.38E-005

Octanol/air (Koa) model: 0.000485

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00337

Mackay model : 0.00744

Octanol/air (Koa) model: 0.0374

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.1972 E-12 cm3/molecule-sec

Half-Life = 0.332 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.986 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec

Half-Life = 3.274 Days (at 7E11 mol/cm3)

Half-Life = 78.583 Hrs

Fraction sorbed to airborne particulates (phi):

0.00541 (Junge-Pankow, Mackay avg)

0.0374 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3371 L/kg (MCI method)

Log Koc: 3.528 (MCI method)

Koc : 1413 L/kg (Kow method)

Log Koc: 3.150 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.614E-002 L/mol-sec

Kb Half-Life at pH 8: 1.361 years

Kb Half-Life at pH 7: 13.607 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 2.476 (BCF = 298.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0081 days (HL = 0.09816 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.619 (BCF = 41.58)

Log BAF Arnot-Gobas method (upper trophic) = 1.619 (BAF = 41.58)

log Kow used: 4.26 (estimated)

Volatilization from Water:

Henry LC: 1.12E-009 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 9.12E+005 hours (3.8E+004 days)

Half-Life from Model Lake : 9.95E+006 hours (4.146E+005 days)

Removal In Wastewater Treatment:

Total removal: 43.12 percent

Total biodegradation: 0.42 percent

Total sludge adsorption: 42.69 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.00792 7.24 1000

Water 11.2 900 1000

Soil 86.6 1.8e+003 1000

Sediment 2.17 8.1e+003 0

Persistence Time: 1.84e+003 hr

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