3-(2-Naphthyl)-3-pentanol
CCC(CC)(c1ccc2ccccc2c1)O
InChI=1S/C15H18O/c1-3-15(16,4-2)14-10-9-12-7-5-6-8-13(12)11-14/h5-11,16H,3-4H2,1-2H3
VQQSFKTWNPCDNT-UHFFFAOYSA-N
CSID:228644, http://www.chemspider.com/Chemical-Structure.228644.html (accessed 11:14, Mar 28, 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) = 4.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 337.88 (Adapted Stein & Brown method) Melting Pt (deg C): 102.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.05E-006 (Modified Grain method) Subcooled liquid VP: 1.16E-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): 37.27 log Kow used: 4.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.861 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.59E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.551E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.10 (KowWin est) Log Kaw used: -5.570 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.670 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4616 Biowin2 (Non-Linear Model) : 0.1471 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5135 (weeks-months) Biowin4 (Primary Survey Model) : 3.3851 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2994 Biowin6 (MITI Non-Linear Model): 0.1790 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2733 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): 0.00155 Pa (1.16E-005 mm Hg) Log Koa (Koawin est ): 9.670 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00194 Octanol/air (Koa) model: 0.00115 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0655 Mackay model : 0.134 Octanol/air (Koa) model: 0.0841 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.1606 E-12 cm3/molecule-sec Half-Life = 0.194 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.327 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0999 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1565 Log Koc: 3.195 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 = 2.461 (BCF = 288.9) log Kow used: 4.10 (estimated) Volatilization from Water: Henry LC: 6.59E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.301E+004 hours (542 days) Half-Life from Model Lake : 1.42E+005 hours (5918 days) Removal In Wastewater Treatment: Total removal: 34.83 percent Total biodegradation: 0.36 percent Total sludge adsorption: 34.47 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.134 4.65 1000 Water 15.1 900 1000 Soil 80.3 1.8e+003 1000 Sediment 4.5 8.1e+003 0 Persistence Time: 1.26e+003 hr
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