Chlorocyclopentane
C1CCC(C1)Cl
InChI=1S/C5H9Cl/c6-5-3-1-2-4-5/h5H,1-4H2
NDTCXABJQNJPCF-UHFFFAOYSA-N
CSID:63437, http://www.chemspider.com/Chemical-Structure.63437.html (accessed 23:22, 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) = 2.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.80 (Adapted Stein & Brown method) Melting Pt (deg C): -68.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 20.4 (Mean VP of Antoine & Grain methods) BP (exp database): 114 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 404.9 log Kow used: 2.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1347.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E-002 atm-m3/mole Group Method: 3.38E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.933E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.87 (KowWin est) Log Kaw used: -0.339 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.209 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5864 Biowin2 (Non-Linear Model) : 0.4184 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7949 (weeks ) Biowin4 (Primary Survey Model) : 3.5962 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4935 Biowin6 (MITI Non-Linear Model): 0.4217 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3808 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.55E+003 Pa (19.1 mm Hg) Log Koa (Koawin est ): 3.209 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E-009 Octanol/air (Koa) model: 3.97E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.25E-008 Mackay model : 9.42E-008 Octanol/air (Koa) model: 3.18E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.0519 E-12 cm3/molecule-sec Half-Life = 3.505 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 42.057 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.84E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 145.3 Log Koc: 2.162 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.838E-015 L/mol-sec Kb Half-Life at pH 8: 1.195E+013 years Kb Half-Life at pH 7: 1.195E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.506 (BCF = 32.07) log Kow used: 2.87 (estimated) Volatilization from Water: Henry LC: 0.0112 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.097 hours Half-Life from Model Lake : 97.72 hours (4.072 days) Removal In Wastewater Treatment: Total removal: 81.71 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.45 percent Total to Air: 79.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 27.5 84.1 1000 Water 40.6 360 1000 Soil 31.3 720 1000 Sediment 0.535 3.24e+003 0 Persistence Time: 154 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.87 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.80 (Adapted Stein & Brown method) Melting Pt (deg C): -68.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 20.4 (Mean VP of Antoine & Grain methods) BP (exp database): 114 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 404.9 log Kow used: 2.87 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1347.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E-002 atm-m3/mole Group Method: 3.38E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.933E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.87 (KowWin est) Log Kaw used: -0.339 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.209 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5864 Biowin2 (Non-Linear Model) : 0.4184 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7949 (weeks ) Biowin4 (Primary Survey Model) : 3.5962 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4935 Biowin6 (MITI Non-Linear Model): 0.4217 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3808 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.55E+003 Pa (19.1 mm Hg) Log Koa (Koawin est ): 3.209 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E-009 Octanol/air (Koa) model: 3.97E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.25E-008 Mackay model : 9.42E-008 Octanol/air (Koa) model: 3.18E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.0519 E-12 cm3/molecule-sec Half-Life = 3.505 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 42.057 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.84E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 145.3 Log Koc: 2.162 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.838E-015 L/mol-sec Kb Half-Life at pH 8: 1.195E+013 years Kb Half-Life at pH 7: 1.195E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.506 (BCF = 32.07) log Kow used: 2.87 (estimated) Volatilization from Water: Henry LC: 0.0112 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.097 hours Half-Life from Model Lake : 97.72 hours (4.072 days) Removal In Wastewater Treatment: Total removal: 81.71 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.45 percent Total to Air: 79.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 27.5 84.1 1000 Water 40.6 360 1000 Soil 31.3 720 1000 Sediment 0.535 3.24e+003 0 Persistence Time: 154 hr
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