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(3-Benzyl-2-methylene-3-buten-1-yl)benzene
C=C(Cc1ccccc1)C(=C)Cc2ccccc2
InChI=1S/C18H18/c1-15(13-17-9-5-3-6-10-17)16(2)14-18-11-7-4-8-12-18/h3-12H,1-2,13-14H2
FNCJMHZWHWRYEO-UHFFFAOYSA-N
CSID:2772297, http://www.chemspider.com/Chemical-Structure.2772297.html (accessed 07:28, Apr 26, 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) = 6.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 331.60 (Adapted Stein & Brown method) Melting Pt (deg C): 50.63 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000209 (Modified Grain method) Subcooled liquid VP: 0.000359 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): 0.07446 log Kow used: 6.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.026274 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.655E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.54 (KowWin est) Log Kaw used: -1.292 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.832 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0015 Biowin2 (Non-Linear Model) : 0.9883 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5756 (weeks-months) Biowin4 (Primary Survey Model) : 3.3824 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0105 Biowin6 (MITI Non-Linear Model): 0.0402 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2195 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0700 BioHC Half-Life (days) : 11.7480 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0479 Pa (0.000359 mm Hg) Log Koa (Koawin est ): 7.832 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.27E-005 Octanol/air (Koa) model: 1.67E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00226 Mackay model : 0.00499 Octanol/air (Koa) model: 0.00133 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 153.5581 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.836 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 18.000000 E-17 cm3/molecule-sec Half-Life = 0.064 Days (at 7E11 mol/cm3) Half-Life = 1.528 Hrs Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00362 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.897E+005 Log Koc: 5.278 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 = 4.338 (BCF = 2.179e+004) log Kow used: 6.54 (estimated) Volatilization from Water: Henry LC: 0.00125 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.279 hours Half-Life from Model Lake : 153.2 hours (6.384 days) Removal In Wastewater Treatment: Total removal: 93.53 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.47 percent Total to Air: 0.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0164 0.798 1000 Water 2.5 900 1000 Soil 33.2 1.8e+003 1000 Sediment 64.3 8.1e+003 0 Persistence Time: 2.61e+003 hr
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