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1-(1-Cyclohexen-1-yl)-2-methylnaphthalene
Cc1ccc2ccccc2c1C3=CCCCC3
InChI=1S/C17H18/c1-13-11-12-14-7-5-6-10-16(14)17(13)15-8-3-2-4-9-15/h5-8,10-12H,2-4,9H2,1H3
NHOMNXPLUQRNCR-UHFFFAOYSA-N
CSID:3268180, http://www.chemspider.com/Chemical-Structure.3268180.html (accessed 07:32, May 16, 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) = 6.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.67 (Adapted Stein & Brown method) Melting Pt (deg C): 103.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.58E-005 (Modified Grain method) Subcooled liquid VP: 0.00015 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): 0.1042 log Kow used: 6.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.11153 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.68E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.243E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.45 (KowWin est) Log Kaw used: -1.634 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.084 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6964 Biowin2 (Non-Linear Model) : 0.6056 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6330 (weeks-months) Biowin4 (Primary Survey Model) : 3.4584 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2266 Biowin6 (MITI Non-Linear Model): 0.1312 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6618 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2554 BioHC Half-Life (days) : 18.0033 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.02 Pa (0.00015 mm Hg) Log Koa (Koawin est ): 8.084 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00015 Octanol/air (Koa) model: 2.98E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00539 Mackay model : 0.0119 Octanol/air (Koa) model: 0.00238 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 128.4879 E-12 cm3/molecule-sec Half-Life = 0.083 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.999 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.00862 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.171E+005 Log Koc: 5.069 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 = 4.265 (BCF = 1.84e+004) log Kow used: 6.45 (estimated) Volatilization from Water: Henry LC: 0.000568 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.059 hours Half-Life from Model Lake : 158.4 hours (6.6 days) Removal In Wastewater Treatment: Total removal: 93.39 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.44 percent Total to Air: 0.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00564 0.268 1000 Water 2.65 900 1000 Soil 33.8 1.8e+003 1000 Sediment 63.6 8.1e+003 0 Persistence Time: 2.56e+003 hr
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