Try beta.chemspider
1,1-Dichloro-2,2-dimethylcyclopropane
CC1(CC1(Cl)Cl)C
InChI=1S/C5H8Cl2/c1-4(2)3-5(4,6)7/h3H2,1-2H3
NNBWTSXEHTTWMR-UHFFFAOYSA-N
CSID:455644, http://www.chemspider.com/Chemical-Structure.455644.html (accessed 15:17, May 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) = 2.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 96.20 (Adapted Stein & Brown method) Melting Pt (deg C): -31.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 44.1 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 243.4 log Kow used: 2.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 164.27 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.314E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.97 (KowWin est) Log Kaw used: -0.292 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.262 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0907 Biowin2 (Non-Linear Model) : 0.0022 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1213 (months ) Biowin4 (Primary Survey Model) : 3.1391 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4565 Biowin6 (MITI Non-Linear Model): 0.1554 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1409 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): 5.6E+003 Pa (42 mm Hg) Log Koa (Koawin est ): 3.262 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.36E-010 Octanol/air (Koa) model: 4.49E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.93E-008 Mackay model : 4.29E-008 Octanol/air (Koa) model: 3.59E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.3403 E-12 cm3/molecule-sec Half-Life = 31.431 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.11E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 157 Log Koc: 2.196 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.528E-016 L/mol-sec Kb Half-Life at pH 8: 6.225E+013 years Kb Half-Life at pH 7: 6.225E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.591 (BCF = 38.97) log Kow used: 2.97 (estimated) Volatilization from Water: Henry LC: 0.0125 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.258 hours Half-Life from Model Lake : 112.6 hours (4.692 days) Removal In Wastewater Treatment: Total removal: 83.33 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.88 percent Total to Air: 80.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 34.8 754 1000 Water 37.8 1.44e+003 1000 Soil 26.5 2.88e+003 1000 Sediment 0.882 1.3e+004 0 Persistence Time: 226 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight