Cyclopentanone
C1CCC(=O)C1
InChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
BGTOWKSIORTVQH-UHFFFAOYSA-N
CSID:8141, http://www.chemspider.com/Chemical-Structure.8141.html (accessed 21:45, Apr 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite™
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 v1.42): 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) MP (exp database): -51.3 deg C BP (exp database): 130.5 deg C VP (exp database): 1.14E+01 mm Hg 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 v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.85E-005 atm-m3/mole Group Method: 9.09E-006 atm-m3/mole Exper Database: 1.00E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.184E-005 atm-m3/mole 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,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.214 Log Koc: 0.915 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) 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 6.11 87.3 1000 Water 45.2 360 1000 Soil 48.6 720 1000 Sediment 0.0846 3.24e+003 0 Persistence Time: 346 hr
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