Try beta.chemspider
Cyclopentene
C1CC=CC1
InChI=1S/C5H8/c1-2-4-5-3-1/h1-2H,3-5H2
LPIQUOYDBNQMRZ-UHFFFAOYSA-N
CSID:8544, http://www.chemspider.com/Chemical-Structure.8544.html (accessed 12:54, Apr 25, 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) = 2.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 65.86 (Adapted Stein & Brown method) Melting Pt (deg C): -93.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 380 (Mean VP of Antoine & Grain methods) MP (exp database): -135.1 deg C BP (exp database): 44.2 deg C VP (exp database): 3.80E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 307.2 log Kow used: 2.47 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 535 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 322.36 mg/L Wat Sol (Exper. database match) = 535.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.99E-002 atm-m3/mole Group Method: 3.62E-002 atm-m3/mole Exper Database: 6.37E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.109E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.47 (KowWin est) Log Kaw used: 0.416 (exp database) Log Koa (KOAWIN v1.10 estimate): 2.054 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7151 Biowin2 (Non-Linear Model) : 0.8851 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0486 (weeks ) Biowin4 (Primary Survey Model) : 3.7495 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5810 Biowin6 (MITI Non-Linear Model): 0.7901 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3290 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.7428 BioHC Half-Life (days) : 5.5309 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.07E+004 Pa (380 mm Hg) Log Koa (Koawin est ): 2.054 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.92E-011 Octanol/air (Koa) model: 2.78E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.14E-009 Mackay model : 4.74E-009 Octanol/air (Koa) model: 2.22E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.7748 E-12 cm3/molecule-sec Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.184 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 3.44E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 89.71 Log Koc: 1.953 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 = 1.202 (BCF = 15.9) log Kow used: 2.47 (estimated) Volatilization from Water: Henry LC: 0.0637 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.8498 hours (50.99 min) Half-Life from Model Lake : 78.48 hours (3.27 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.12 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.01 percent Total to Air: 95.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.36 0.793 1000 Water 91.1 360 1000 Soil 6.97 720 1000 Sediment 0.605 3.24e+003 0 Persistence Time: 67.6 hr
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