1,1'-(1,1-Ethenediyl)bis(2,4,6-trimethylbenzene)
C=C(/c1c(cc(cc1C)C)C)c2c(cc(cc2C)C)C
InChI=1S/C20H24/c1-12-8-14(3)19(15(4)9-12)18(7)20-16(5)10-13(2)11-17(20)6/h8-11H,7H2,1-6H3
ZXLMOUVEHHFJDE-UHFFFAOYSA-N
CSID:8530912, http://www.chemspider.com/Chemical-Structure.8530912.html (accessed 22:26, 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) = 7.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 359.42 (Adapted Stein & Brown method) Melting Pt (deg C): 115.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1E-005 (Modified Grain method) Subcooled liquid VP: 7.88E-005 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): 0.01568 log Kow used: 7.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0064955 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.24E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.219E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.14 (KowWin est) Log Kaw used: -2.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.178 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9497 Biowin2 (Non-Linear Model) : 0.9380 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1658 (months ) Biowin4 (Primary Survey Model) : 3.0551 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2195 Biowin6 (MITI Non-Linear Model): 0.0614 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9233 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6980 BioHC Half-Life (days) : 4.9887 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0105 Pa (7.88E-005 mm Hg) Log Koa (Koawin est ): 9.178 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000286 Octanol/air (Koa) model: 0.00037 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0102 Mackay model : 0.0223 Octanol/air (Koa) model: 0.0287 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 117.4464 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.093 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 25.199999 E-17 cm3/molecule-sec Half-Life = 0.045 Days (at 7E11 mol/cm3) Half-Life = 1.091 Hrs Fraction sorbed to airborne particulates (phi): 0.0163 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.736E+005 Log Koc: 5.572 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 = 4.617 (BCF = 4.144e+004) log Kow used: 7.14 (estimated) Volatilization from Water: Henry LC: 0.000224 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.909 hours Half-Life from Model Lake : 200.8 hours (8.367 days) Removal In Wastewater Treatment: Total removal: 93.90 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.11 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00787 0.728 1000 Water 1.52 1.44e+003 1000 Soil 30.7 2.88e+003 1000 Sediment 67.7 1.3e+004 0 Persistence Time: 4.51e+003 hr
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