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1,3-Diisopropylnaphthalene
CC(C)c1cc2ccccc2c(c1)C(C)C
InChI=1S/C16H20/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)12(3)4/h5-12H,1-4H3
JDBFIFNXALGSOF-UHFFFAOYSA-N
CSID:83655, http://www.chemspider.com/Chemical-Structure.83655.html (accessed 07:31, Apr 23, 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) = 6.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 309.55 (Adapted Stein & Brown method) Melting Pt (deg C): 59.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000566 (Modified Grain method) Subcooled liquid VP: 0.00117 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): 0.2421 log Kow used: 6.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11458 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.99E-003 atm-m3/mole Group Method: 1.94E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.532E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.08 (KowWin est) Log Kaw used: -1.090 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.170 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7558 Biowin2 (Non-Linear Model) : 0.7591 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5802 (weeks-months) Biowin4 (Primary Survey Model) : 3.4043 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1119 Biowin6 (MITI Non-Linear Model): 0.0927 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2175 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.4838 BioHC Half-Life (days) : 30.4658 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.156 Pa (0.00117 mm Hg) Log Koa (Koawin est ): 7.170 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.92E-005 Octanol/air (Koa) model: 3.63E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000694 Mackay model : 0.00154 Octanol/air (Koa) model: 0.00029 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 66.2163 E-12 cm3/molecule-sec Half-Life = 0.162 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.938 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00112 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.575E+004 Log Koc: 4.660 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 = 3.982 (BCF = 9602) log Kow used: 6.08 (estimated) Volatilization from Water: Henry LC: 0.00194 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.927 hours Half-Life from Model Lake : 143.2 hours (5.967 days) Removal In Wastewater Treatment: Total removal: 92.69 percent Total biodegradation: 0.75 percent Total sludge adsorption: 90.71 percent Total to Air: 1.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.107 3.88 1000 Water 3.37 900 1000 Soil 41.3 1.8e+003 1000 Sediment 55.2 8.1e+003 0 Persistence Time: 2.09e+003 hr
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