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CAS Num: 001128-08-1


CHEM : 2-Cyclopenten-1-one, 3-methyl-2-pentyl-

MOL FOR: C11 H18 O1

MOL WT : 166.27

------------------------------ 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) = 3.77

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

Boiling Pt (deg C): 250.68 (Adapted Stein & Brown method)

Melting Pt (deg C): 41.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0298 (Modified Grain method)

VP (Pa, 25 deg C) : 3.97 (Modified Grain method)

BP (exp database): 140-147 @ 22 mm Hg deg C

Subcooled liquid VP: 0.0417 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 38.82

log Kow used: 3.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 25.054 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ketones

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

Bond Method : 1.38E-004 atm-m3/mole (1.40E+001 Pa-m3/mole)

Group Method: 8.29E-005 atm-m3/mole (8.40E+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: 1.679E-004 atm-m3/mole (1.702E+001 Pa-m3/mole)

VP: 0.0298 mm Hg (source: MPBPVP)

WS: 38.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.77 (KowWin est)

Log Kaw used: -2.249 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.019

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7837

Biowin2 (Non-Linear Model) : 0.8848

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1076 (weeks )

Biowin4 (Primary Survey Model) : 3.8547 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5732

Biowin6 (MITI Non-Linear Model): 0.6876

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1687

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): 5.56 Pa (0.0417 mm Hg)

Log Koa (Koawin est ): 6.019

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

Mackay model : 5.4E-007

Octanol/air (Koa) model: 2.56E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.95E-005

Mackay model : 4.32E-005

Octanol/air (Koa) model: 2.05E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 107.3097 E-12 cm3/molecule-sec

Half-Life = 0.100 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.196 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 48.059372 E-17 cm3/molecule-sec

Half-Life = 0.024 Days (at 7E11 mol/cm3)

Half-Life = 34.337 Min

Fraction sorbed to airborne particulates (phi):

3.13E-005 (Junge-Pankow, Mackay avg)

2.05E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 295.1 L/kg (MCI method)

Log Koc: 2.470 (MCI method)

Koc : 1607 L/kg (Kow method)

Log Koc: 3.206 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.153 (BCF = 142.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1720 days (HL = 0.6729 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.289 (BCF = 194.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.289 (BAF = 194.5)

log Kow used: 3.77 (estimated)

Volatilization from Water:

Henry LC: 8.29E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 10.42 hours

Half-Life from Model Lake : 221.8 hours (9.243 days)

Removal In Wastewater Treatment:

Total removal: 23.69 percent

Total biodegradation: 0.24 percent

Total sludge adsorption: 20.16 percent

Total to Air: 3.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0654 0.462 1000

Water 23.2 360 1000

Soil 76.4 720 1000

Sediment 0.299 3.24e+003 0

Persistence Time: 416 hr

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