1-Chlorododecane
CCCCCCCCCCCCCl
InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
YAYNEUUHHLGGAH-UHFFFAOYSA-N
CSID:7900, http://www.chemspider.com/Chemical-Structure.7900.html (accessed 08:22, 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) = 6.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 255.10 (Adapted Stein & Brown method) Melting Pt (deg C): 8.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0159 (Mean VP of Antoine & Grain methods) MP (exp database): -9.3 deg C BP (exp database): 260 deg C VP (exp database): 6.30E-03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1189 log Kow used: 6.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11088 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.85E-001 atm-m3/mole Group Method: 2.87E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.603E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.49 (KowWin est) Log Kaw used: 0.879 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.611 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6471 Biowin2 (Non-Linear Model) : 0.5229 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8718 (weeks ) Biowin4 (Primary Survey Model) : 3.7207 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6480 Biowin6 (MITI Non-Linear Model): 0.6723 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7100 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.84 Pa (0.0063 mm Hg) Log Koa (Koawin est ): 5.611 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.57E-006 Octanol/air (Koa) model: 1E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000129 Mackay model : 0.000286 Octanol/air (Koa) model: 8.02E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.4706 E-12 cm3/molecule-sec Half-Life = 0.794 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.528 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000207 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.082E+004 Log Koc: 4.034 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.044E-013 L/mol-sec Kb Half-Life at pH 8: 2.104E+011 years Kb Half-Life at pH 7: 2.104E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.796 (BCF = 625.5) log Kow used: 6.49 (estimated) Volatilization from Water: Henry LC: 0.185 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.465 hours Half-Life from Model Lake : 136 hours (5.666 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.86 percent Total biodegradation: 0.46 percent Total sludge adsorption: 75.27 percent Total to Air: 21.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.814 19.1 1000 Water 4.97 360 1000 Soil 33.3 720 1000 Sediment 60.9 3.24e+003 0 Persistence Time: 1.01e+003 hr
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