Try beta.chemspider
(Dichloromethylene)cyclohexane
Cl/C(Cl)=C1/CCCCC1
InChI=1S/C7H10Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5H2
BMIIITKVMXQIGU-UHFFFAOYSA-N
CSID:9681312, http://www.chemspider.com/Chemical-Structure.9681312.html (accessed 18:17, Jul 16, 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) = 4.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 177.21 (Adapted Stein & Brown method) Melting Pt (deg C): -23.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.5 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.55 log Kow used: 4.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 81.301 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.09E-002 atm-m3/mole Group Method: 3.62E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.088E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.44 (KowWin est) Log Kaw used: 0.519 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.921 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4462 Biowin2 (Non-Linear Model) : 0.0456 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4880 (weeks-months) Biowin4 (Primary Survey Model) : 3.4084 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3219 Biowin6 (MITI Non-Linear Model): 0.0883 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2067 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): 183 Pa (1.37 mm Hg) Log Koa (Koawin est ): 3.921 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.64E-008 Octanol/air (Koa) model: 2.05E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.93E-007 Mackay model : 1.31E-006 Octanol/air (Koa) model: 1.64E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.3878 E-12 cm3/molecule-sec Half-Life = 0.939 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.271 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.151195 E-17 cm3/molecule-sec Half-Life = 7.580 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 9.54E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 817.2 Log Koc: 2.912 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 = 2.716 (BCF = 519.9) log Kow used: 4.44 (estimated) Volatilization from Water: Henry LC: 0.0362 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.332 hours Half-Life from Model Lake : 122.3 hours (5.094 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.14 percent Total biodegradation: 0.14 percent Total sludge adsorption: 33.48 percent Total to Air: 61.51 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.2 20.1 1000 Water 15.5 900 1000 Soil 71.2 1.8e+003 1000 Sediment 10.1 8.1e+003 0 Persistence Time: 504 hr
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