Try beta.chemspider
1,1'-(2-Butene-2,3-diyl)bis(2,4-dimethylbenzene)
Cc1ccc(c(c1)C)C(=C(C)c2ccc(cc2C)C)C
InChI=1S/C20H24/c1-13-7-9-19(15(3)11-13)17(5)18(6)20-10-8-14(2)12-16(20)4/h7-12H,1-6H3
SGKCKRLHAPBOOU-UHFFFAOYSA-N
CSID:3435496, http://www.chemspider.com/Chemical-Structure.3435496.html (accessed 20:20, 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) = 7.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 360.70 (Adapted Stein & Brown method) Melting Pt (deg C): 104.44 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.23E-005 (Modified Grain method) Subcooled liquid VP: 7.35E-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): 0.00422 log Kow used: 7.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0057513 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.51E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.014E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.81 (KowWin est) Log Kaw used: -1.734 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.544 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8403 Biowin2 (Non-Linear Model) : 0.8267 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3155 (weeks-months) Biowin4 (Primary Survey Model) : 3.1921 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1415 Biowin6 (MITI Non-Linear Model): 0.0423 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3827 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5276 BioHC Half-Life (days) : 3.3702 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.0098 Pa (7.35E-005 mm Hg) Log Koa (Koawin est ): 9.544 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000306 Octanol/air (Koa) model: 0.000859 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0109 Mackay model : 0.0239 Octanol/air (Koa) model: 0.0643 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 135.8028 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.945 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1064.699951 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.550 Min Fraction sorbed to airborne particulates (phi): 0.0174 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.167E+005 Log Koc: 5.620 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 = 3.703 (BCF = 5047) log Kow used: 7.81 (estimated) Volatilization from Water: Henry LC: 0.000451 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.77 hours Half-Life from Model Lake : 177.5 hours (7.395 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.000402 0.0255 1000 Water 1.94 900 1000 Soil 28.2 1.8e+003 1000 Sediment 69.8 8.1e+003 0 Persistence Time: 3.07e+003 hr
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