Try beta.chemspider
1-Allylnaphthalene
C=CCc1cccc2c1cccc2
InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2
RJFCFNWLPJRCLR-UHFFFAOYSA-N
CSID:16296, http://www.chemspider.com/Chemical-Structure.16296.html (accessed 18:20, Apr 25, 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) = 4.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 281.65 (Adapted Stein & Brown method) Melting Pt (deg C): 41.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00818 (Modified Grain method) BP (exp database): 266 deg C Subcooled liquid VP: 0.0116 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): 7.964 log Kow used: 4.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3297 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.62E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.274E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.56 (KowWin est) Log Kaw used: -1.507 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.067 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7221 Biowin2 (Non-Linear Model) : 0.7680 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7525 (weeks ) Biowin4 (Primary Survey Model) : 3.5365 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2320 Biowin6 (MITI Non-Linear Model): 0.1781 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1743 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8606 BioHC Half-Life (days) : 7.2547 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.55 Pa (0.0116 mm Hg) Log Koa (Koawin est ): 6.067 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.94E-006 Octanol/air (Koa) model: 2.86E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.01E-005 Mackay model : 0.000155 Octanol/air (Koa) model: 2.29E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 80.9067 E-12 cm3/molecule-sec Half-Life = 0.132 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.586 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.000113 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.083E+004 Log Koc: 4.034 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 = 2.813 (BCF = 649.9) log Kow used: 4.56 (estimated) Volatilization from Water: Henry LC: 0.000762 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.32 hours Half-Life from Model Lake : 134.1 hours (5.586 days) Removal In Wastewater Treatment: Total removal: 65.49 percent Total biodegradation: 0.48 percent Total sludge adsorption: 54.88 percent Total to Air: 10.13 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.404 2.79 1000 Water 15.5 360 1000 Soil 77.4 720 1000 Sediment 6.75 3.24e+003 0 Persistence Time: 443 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight