1,4-Dichlorobicyclo[2.2.1]heptane
C1CC2(CCC1(C2)Cl)Cl
InChI=1S/C7H10Cl2/c8-6-1-2-7(9,5-6)4-3-6/h1-5H2
YBNBENMSAFGIQF-UHFFFAOYSA-N
CSID:121427, http://www.chemspider.com/Chemical-Structure.121427.html (accessed 06:03, 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) = 3.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 154.92 (Adapted Stein & Brown method) Melting Pt (deg C): 6.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.19 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 66.79 log Kow used: 3.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 121.22 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.72E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.037E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.50 (KowWin est) Log Kaw used: -0.401 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.901 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0783 Biowin2 (Non-Linear Model) : 0.0015 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0638 (months ) Biowin4 (Primary Survey Model) : 3.1015 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4571 Biowin6 (MITI Non-Linear Model): 0.1769 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4618 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): 388 Pa (2.91 mm Hg) Log Koa (Koawin est ): 3.901 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.73E-009 Octanol/air (Koa) model: 1.95E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.79E-007 Mackay model : 6.19E-007 Octanol/air (Koa) model: 1.56E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.3235 E-12 cm3/molecule-sec Half-Life = 3.218 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 38.619 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.49E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 653 Log Koc: 2.815 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.642E-015 L/mol-sec Kb Half-Life at pH 8: 1.338E+013 years Kb Half-Life at pH 7: 1.338E+014 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.993 (BCF = 98.51) log Kow used: 3.50 (estimated) Volatilization from Water: Henry LC: 0.00972 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.388 hours Half-Life from Model Lake : 122.9 hours (5.12 days) Removal In Wastewater Treatment: Total removal: 80.53 percent Total biodegradation: 0.07 percent Total sludge adsorption: 8.19 percent Total to Air: 72.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.1 77.2 1000 Water 23.9 1.44e+003 1000 Soil 61.9 2.88e+003 1000 Sediment 2.06 1.3e+004 0 Persistence Time: 358 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight