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MISC \ Paul Sterchele \ FRET 09

- 0536 \ PMN \ Episummary_CAS 1464989

- 16

- 9.doc

1 EPI Suite Results For CAS

SMILES : O=CCCC2CCC3C1CCC(C1)C23 CHEM : 4,7 - Methano - 1H - indene - 1 - propanal, octahydro MOL FOR: C13 H20 O1 MOL WT : 192.30

------------------------------ EPI SUMMARY (v4.11) -------------------------- Physical Property I nputs: Log Kow (octanol - water): 4.80 Boiling Point (deg C) : ------ Melting Point (deg C) : ------ Vapor Pressure (mm Hg) : ------ Water Solubility (mg/L): 13.4 Henry LC (atm - m3/mole) : ------ Log Octanol - Water Partition Coef (SRC): Log Kow (KOWWIN v1.68 estimate) = 3.51 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43): Boiling Pt (deg C): 269.89 (Adapted Stein & Brown method) Melting Pt (deg C): 45.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00619 (Modified Grain method) VP (Pa, 25 deg C) : 0.825 (Modified Grain method) Subcooled liquid VP: 0.00951 mm Hg (25 deg C, Mod - Grain method) : 1.27 Pa (25 deg C, Mod - Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.42): Water Solubility at 25 deg C (mg/L): 3.809 log Kow used: 4.80 (user entered) no - melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.564 mg/L

### G: \

MISC \ Paul Sterchele \ FRET 09

- 0536 \ PMN \ Episummary_CAS 1464989

- 16

- 9.doc

2 ECOSAR Class Program (ECOSAR v1.11): Class(es) found: Aldehydes (Mono) Henrys Law Constant (25 deg C) [HENRYWIN v3. 20]: Bond Method : 1.31E - 004 atm - m3/mole (1.33E+001 Pa - m3/mole) Group Method: 1.02E - 005 atm - m3/mole (1.03E+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 E stimated values]: HLC: 1.169E - 004 atm - m3/mole (1.184E+001 Pa - m3/mole) VP: 0.00619 mm Hg (source: MPBPVP) WS: 13.4 mg/L (source: User - Entered) Log Octanol - Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.80 (user entered) Log Ka w used: - 2.271 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.071 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9406 Biowin2 (Non - Linear Model) : 0.9994 Expert S urvey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7965 (weeks ) Biowin4 (Primary Survey Model) : 3.7669 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8111 Biowin6 (MITI Non - Linear Model): 0.7525 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6078 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 D ec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.27 Pa (0.00951 mm Hg) Log Koa (Koawin est ): 7.071 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.37E - 006 Octanol/air (Koa) model: 2.89E - 006 Fraction sorbed to airborne p articulates (phi): Junge - Pankow model : 8.55E - 005 Mackay model : 0.000189 Octanol/air (Koa) model: 0.000231 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.5234 E - 12 cm3/molecule - sec Half - Life = 0.278 Days (12 - hr day; 1.5E6 OH/cm3) Half - Life = 3.332 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000137 (Junge - Pankow, Mackay avg)

### G: \

MISC \ Paul Sterchele \ FRET 09

- 0536 \ PMN \ Episummary_CAS 1464989

- 16

- 9.doc

3 0.000231 (Koa method) Note: the sorbed frac tion may be resistant to atmospheric oxidation Soil Adsorption Coefficient (KOCWIN v2.00): Koc : 390.1 L/kg (MCI method) Log Koc: 2.591 (MCI method) Koc : 2243 L/kg (Kow method) Log Koc: 3.351 (Kow method) Aqueous Base/Acid - Cataly zed Hydrolysis (25 deg C) [HYDROWIN v2.00]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates (BCFBAF v3.01): Log BCF from regression - based method = 2.834 (BCF = 682.4 L/kg wet - wt) Log Biotransformation Half - life (HL) = 0.9 318 days (HL = 8.548 days) Log BCF Arnot - Gobas method (upper trophic) = 3.339 (BCF = 2180) Log BAF Arnot - Gobas method (upper trophic) = 3.412 (BAF = 2584) log Kow used: 4.80 (user entered) Volatilization from Water: Henry LC: 1.02E - 005 atm - m3/mole (esti mated by Group SAR Method) Half - Life from Model River: 81.01 hours (3.376 days) Half - Life from Model Lake : 1000 hours (41.67 days) Removal In Wastewater Treatment: Total removal: 70.44 percent Total biodegradation: 0 .63 percent Total sludge adsorption: 69.67 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half - Life Emissions (percent) (hr) (kg/hr) Air 0.669 6.6 6 1000 Water 25 360 1000 Soil 73.9 720 1000 Sediment 0.401 3.24e+003 0 Persistence Time: 453 hr



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