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4-Dodecanylbenzene
CCCCCCCCC(CCC)c1ccccc1
InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
RHDHXBLZBVAPTL-UHFFFAOYSA-N
CSID:16665, http://www.chemspider.com/Chemical-Structure.16665.html (accessed 10:55, Jun 10, 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) = 7.87 Log Kow (Exper. database match) = 8.01 Exper. Ref: Sherblom,PM et al. (1992) Log Kow (Exper. database match) = 8.01 Exper. Ref: Sherblom,PM et al. (1992) Log Kow (Exper. database match) = 8.07 Exper. Ref: Sherblom,PM et al. (1992) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 316.39 (Adapted Stein & Brown method) Melting Pt (deg C): 40.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000584 (Modified Grain method) Subcooled liquid VP: 0.000814 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): 0.003176 log Kow used: 8.07 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0026147 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.34E-001 atm-m3/mole Group Method: 2.74E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.963E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.07 (exp database) Log Kaw used: 0.739 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.331 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9214 Biowin2 (Non-Linear Model) : 0.9765 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9001 (weeks ) Biowin4 (Primary Survey Model) : 3.6976 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4559 Biowin6 (MITI Non-Linear Model): 0.5446 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2528 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.6247 BioHC Half-Life (days) : 42.1362 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.109 Pa (0.000814 mm Hg) Log Koa (Koawin est ): 7.331 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.76E-005 Octanol/air (Koa) model: 5.26E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000997 Mackay model : 0.00221 Octanol/air (Koa) model: 0.000421 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.0845 E-12 cm3/molecule-sec Half-Life = 0.533 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.391 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0016 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.215E+005 Log Koc: 5.345 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 = 1.844 (BCF = 69.84) log Kow used: 8.07 (expkow database) Volatilization from Water: Henry LC: 0.274 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.605 hours Half-Life from Model Lake : 149.1 hours (6.214 days) Removal In Wastewater Treatment: Total removal: 94.27 percent Total biodegradation: 0.75 percent Total sludge adsorption: 91.86 percent Total to Air: 1.66 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.422 12.8 1000 Water 3.77 360 1000 Soil 28 720 1000 Sediment 67.8 3.24e+003 0 Persistence Time: 1.23e+003 hr
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