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- Double-bond stereo
1,2-Dimethyl-4-[(E)-2-(1-naphthyl)vinyl]naphthalene
Cc1cc(c2ccccc2c1C)/C=C/c3cccc4c3cccc4
InChI=1S/C24H20/c1-17-16-21(24-13-6-5-11-22(24)18(17)2)15-14-20-10-7-9-19-8-3-4-12-23(19)20/h3-16H,1-2H3/b15-14+
FXIAWZUVYQFFOG-CCEZHUSRSA-N
CSID:4863445, http://www.chemspider.com/Chemical-Structure.4863445.html (accessed 16:25, Jul 7, 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) = 7.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 462.42 (Adapted Stein & Brown method) Melting Pt (deg C): 175.14 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.69E-009 (Modified Grain method) Subcooled liquid VP: 2.41E-007 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): 0.0001327 log Kow used: 7.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0001039 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-006 atm-m3/mole Group Method: 2.68E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.046E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.97 (KowWin est) Log Kaw used: -4.230 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.200 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7101 Biowin2 (Non-Linear Model) : 0.4460 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3679 (weeks-months) Biowin4 (Primary Survey Model) : 3.2657 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0115 Biowin6 (MITI Non-Linear Model): 0.0139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1997 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3108 BioHC Half-Life (days) : 20.4543 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.21E-005 Pa (2.41E-007 mm Hg) Log Koa (Koawin est ): 12.200 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0934 Octanol/air (Koa) model: 0.389 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.771 Mackay model : 0.882 Octanol/air (Koa) model: 0.969 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 141.9675 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 149.5675 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 0.904 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.858 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 12.599999 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 25.199999 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.183 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.091 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.827 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.316E+006 Log Koc: 6.864 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 = 3.480 (BCF = 3020) log Kow used: 7.97 (estimated) Volatilization from Water: Henry LC: 2.68E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3838 hours (159.9 days) Half-Life from Model Lake : 4.202E+004 hours (1751 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0145 0.989 1000 Water 1.92 900 1000 Soil 28.6 1.8e+003 1000 Sediment 69.4 8.1e+003 0 Persistence Time: 3.12e+003 hr
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