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CAS Num: 000120-92-3

SMILES : O=C(CCC1)C1

CHEM : Cyclopentanone

MOL FOR: C5 H8 O1

MOL WT : 84.12

------------------------------ 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) = 0.63

Log Kow (Exper. database match) = 0.38

Exper. Ref: DAYLIGHT (2003)

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

Boiling Pt (deg C): 130.58 (Adapted Stein & Brown method)

Melting Pt (deg C): -40.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 12 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.6E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -51.3 deg C

BP (exp database): 130.5 deg C

VP (exp database): 1.14E+01 mm Hg (1.52E+003 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 6.081e+004

log Kow used: 0.38 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 80805 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.85E-005 atm-m3/mole (3.90E+000 Pa-m3/mole)

Group Method: 9.09E-006 atm-m3/mole (9.21E-001 Pa-m3/mole)

Exper Database: 1.00E-05 atm-m3/mole (1.01E+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: 2.184E-005 atm-m3/mole (2.213E+000 Pa-m3/mole)

VP: 12 mm Hg (source: MPBPVP)

WS: 6.08E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.38 (exp database)

Log Kaw used: -3.388 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.768

Log Koa (experimental database): 3.670

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7143

Biowin2 (Non-Linear Model) : 0.7960

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9908 (weeks )

Biowin4 (Primary Survey Model) : 3.7042 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6585

Biowin6 (MITI Non-Linear Model): 0.8672

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0359

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): 1.52E+003 Pa (11.4 mm Hg)

Log Koa (Exp database): 3.670

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

Mackay model : 1.97E-009

Octanol/air (Koa) model: 1.15E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.13E-008

Mackay model : 1.58E-007

Octanol/air (Koa) model: 9.19E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 6.8378 E-12 cm3/molecule-sec

Half-Life = 1.564 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 18.771 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.15E-007 (Junge-Pankow, Mackay avg)

9.19E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 9.535 L/kg (MCI method)

Log Koc: 0.979 (MCI method)

Koc : 21.42 L/kg (Kow method)

Log Koc: 1.331 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4310 days (HL = 0.03706 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.019 (BCF = 1.045)

Log BAF Arnot-Gobas method (upper trophic) = 0.019 (BAF = 1.045)

log Kow used: 0.38 (expkow database)

Volatilization from Water:

Henry LC: 1E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 54.63 hours (2.276 days)

Half-Life from Model Lake : 672.9 hours (28.04 days)

Removal In Wastewater Treatment:

Total removal: 2.41 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.56 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 5.42 87.3 1000

Water 38.8 360 1000

Soil 55.7 720 1000

Sediment 0.0865 3.24e+003 0

Persistence Time: 378 hr

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