Try beta.chemspider
1-Chloro-1-methylcyclopentane
CC1(CCCC1)Cl
InChI=1S/C6H11Cl/c1-6(7)4-2-3-5-6/h2-5H2,1H3
XDULUGNXCNQBNS-UHFFFAOYSA-N
CSID:122299, http://www.chemspider.com/Chemical-Structure.122299.html (accessed 07:29, Apr 23, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 106.09 (Adapted Stein & Brown method) Melting Pt (deg C): -51.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 28.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 148.8 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 651.88 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.021E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -0.215 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.535 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3958 Biowin2 (Non-Linear Model) : 0.0952 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5518 (weeks-months) Biowin4 (Primary Survey Model) : 3.4226 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5073 Biowin6 (MITI Non-Linear Model): 0.4569 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0724 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): 3.63E+003 Pa (27.2 mm Hg) Log Koa (Koawin est ): 3.535 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.27E-010 Octanol/air (Koa) model: 8.41E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.99E-008 Mackay model : 6.62E-008 Octanol/air (Koa) model: 6.73E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4152 E-12 cm3/molecule-sec Half-Life = 3.132 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.583 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.8E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 213.2 Log Koc: 2.329 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 9.787E-014 L/mol-sec Kb Half-Life at pH 8: 2.244E+011 years Kb Half-Life at pH 7: 2.244E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.855 (BCF = 71.65) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 0.0149 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.154 hours Half-Life from Model Lake : 103.9 hours (4.33 days) Removal In Wastewater Treatment: Total removal: 85.90 percent Total biodegradation: 0.05 percent Total sludge adsorption: 5.50 percent Total to Air: 80.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 18.8 75.2 1000 Water 34.9 900 1000 Soil 44.7 1.8e+003 1000 Sediment 1.65 8.1e+003 0 Persistence Time: 227 hr
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