- Charge
Dichloro(methylene)titanium
Cl/[Ti](Cl)=C
InChI=1S/CH2.2ClH.Ti/h1H2;2*1H;/q;;;+2/p-2
IBMIFJZXMKTKTG-UHFFFAOYSA-L
CSID:9632560, http://www.chemspider.com/Chemical-Structure.9632560.html (accessed 16:45, 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) = 1.34 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.61 (Adapted Stein & Brown method) Melting Pt (deg C): -39.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 34.3 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6421 log Kow used: 1.34 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18239 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.334E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6843 Biowin2 (Non-Linear Model) : 0.7545 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9057 (weeks ) Biowin4 (Primary Survey Model) : 3.6561 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3665 Biowin6 (MITI Non-Linear Model): 0.2935 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8621 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): 4.33E+003 Pa (32.5 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.92E-010 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.5E-008 Mackay model : 5.54E-008 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.9340 E-12 cm3/molecule-sec Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.02E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.332 (BCF = 2.149) log Kow used: 1.34 (estimated) Volatilization from Water: Henry LC: 0.000933 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.899 hours Half-Life from Model Lake : 117.3 hours (4.889 days) Removal In Wastewater Treatment: Total removal: 29.51 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.41 percent Total to Air: 28.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 35 275 1000 Water 42.6 360 1000 Soil 22.2 720 1000 Sediment 0.0942 3.24e+003 0 Persistence Time: 171 hr
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