1,5-Dibutoxynaphthalene
CCCCOc1cccc2c1cccc2OCCCC
InChI=1S/C18H24O2/c1-3-5-13-19-17-11-7-10-16-15(17)9-8-12-18(16)20-14-6-4-2/h7-12H,3-6,13-14H2,1-2H3
RXHSATZVJJFNHD-UHFFFAOYSA-N
CSID:2758835, http://www.chemspider.com/Chemical-Structure.2758835.html (accessed 04:04, Apr 20, 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) = 6.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.33 (Adapted Stein & Brown method) Melting Pt (deg C): 119.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.03E-006 (Modified Grain method) Subcooled liquid VP: 3.47E-005 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): 0.07714 log Kow used: 6.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.010982 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-005 atm-m3/mole Group Method: 1.77E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.872E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.28 (KowWin est) Log Kaw used: -3.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.664 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0985 Biowin2 (Non-Linear Model) : 0.9993 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0777 (weeks ) Biowin4 (Primary Survey Model) : 4.1471 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6389 Biowin6 (MITI Non-Linear Model): 0.6557 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0191 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): 0.00463 Pa (3.47E-005 mm Hg) Log Koa (Koawin est ): 9.664 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000648 Octanol/air (Koa) model: 0.00113 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0229 Mackay model : 0.0493 Octanol/air (Koa) model: 0.0831 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 224.6895 E-12 cm3/molecule-sec Half-Life = 0.048 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.571 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0361 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.819E+004 Log Koc: 4.582 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 = 4.134 (BCF = 1.36e+004) log Kow used: 6.28 (estimated) Volatilization from Water: Henry LC: 0.00177 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.23 hours Half-Life from Model Lake : 162.7 hours (6.78 days) Removal In Wastewater Treatment: Total removal: 93.16 percent Total biodegradation: 0.76 percent Total sludge adsorption: 91.68 percent Total to Air: 0.72 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0662 1.14 1000 Water 5.64 360 1000 Soil 36.8 720 1000 Sediment 57.5 3.24e+003 0 Persistence Time: 941 hr
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