Try beta.chemspider
1,1'-(2-Chloro-2-methyl-1,1-propanediyl)bis(4-chlorobenzene)
CC(C)(C(c1ccc(cc1)Cl)c2ccc(cc2)Cl)Cl
InChI=1S/C16H15Cl3/c1-16(2,19)15(11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,15H,1-2H3
DYMSBHRCNUTBKD-UHFFFAOYSA-N
CSID:163800, http://www.chemspider.com/Chemical-Structure.163800.html (accessed 13:50, Jun 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) = 6.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 354.30 (Adapted Stein & Brown method) Melting Pt (deg C): 112.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.42E-005 (Modified Grain method) Subcooled liquid VP: 0.000104 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.02532 log Kow used: 6.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0077218 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.17E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.315E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.56 (KowWin est) Log Kaw used: -2.052 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.612 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0073 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6327 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7419 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0831 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3213 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): 0.0139 Pa (0.000104 mm Hg) Log Koa (Koawin est ): 8.612 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000216 Octanol/air (Koa) model: 0.0001 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00775 Mackay model : 0.017 Octanol/air (Koa) model: 0.00797 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.5132 E-12 cm3/molecule-sec Half-Life = 1.940 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.281 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0124 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.203E+005 Log Koc: 5.343 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 = 4.354 (BCF = 2.261e+004) log Kow used: 6.56 (estimated) Volatilization from Water: Henry LC: 0.000217 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.586 hours Half-Life from Model Lake : 220.3 hours (9.181 days) Removal In Wastewater Treatment: Total removal: 93.52 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.69 percent Total to Air: 0.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.151 46.6 1000 Water 0.972 4.32e+003 1000 Soil 44 8.64e+003 1000 Sediment 54.9 3.89e+004 0 Persistence Time: 9.55e+003 hr
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