1-Isopropenyl-3-methylbenzene
Cc1cccc(c1)C(=C)C
InChI=1S/C10H12/c1-8(2)10-6-4-5-9(3)7-10/h4-7H,1H2,2-3H3
XXTQHVKTTBLFRI-UHFFFAOYSA-N
CSID:63924, http://www.chemspider.com/Chemical-Structure.63924.html (accessed 02:38, Apr 19, 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) = 3.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.63 (Adapted Stein & Brown method) Melting Pt (deg C): -26.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.757 (Mean VP of Antoine & Grain methods) BP (exp database): 185 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 35.29 log Kow used: 3.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28.913 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.78E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.732E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.99 (KowWin est) Log Kaw used: -0.709 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.699 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7393 Biowin2 (Non-Linear Model) : 0.8466 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8322 (weeks ) Biowin4 (Primary Survey Model) : 3.5885 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4059 Biowin6 (MITI Non-Linear Model): 0.3949 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1440 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5005 BioHC Half-Life (days) : 3.1659 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 91.7 Pa (0.688 mm Hg) Log Koa (Koawin est ): 4.699 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.27E-008 Octanol/air (Koa) model: 1.23E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.18E-006 Mackay model : 2.62E-006 Octanol/air (Koa) model: 9.82E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.4576 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.273 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 1.9E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1324 Log Koc: 3.122 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 = 2.372 (BCF = 235.5) log Kow used: 3.99 (estimated) Volatilization from Water: Henry LC: 0.00478 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.314 hours Half-Life from Model Lake : 110.7 hours (4.615 days) Removal In Wastewater Treatment: Total removal: 72.14 percent Total biodegradation: 0.16 percent Total sludge adsorption: 21.73 percent Total to Air: 50.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.298 1.4 1000 Water 17.6 360 1000 Soil 79.9 720 1000 Sediment 2.19 3.24e+003 0 Persistence Time: 357 hr
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