Try beta.chemspider
2-(7-Tetraphenyl)oxirane
c1ccc2c(c1)ccc3c2cc4ccccc4c3C5CO5
InChI=1S/C20H14O/c1-3-7-15-13(5-1)9-10-17-18(15)11-14-6-2-4-8-16(14)20(17)19-12-21-19/h1-11,19H,12H2
CKLWGOVDWZSDQU-UHFFFAOYSA-N
CSID:39842, http://www.chemspider.com/Chemical-Structure.39842.html (accessed 06:37, Apr 24, 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) = 5.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 439.11 (Adapted Stein & Brown method) Melting Pt (deg C): 169.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.97E-008 (Modified Grain method) Subcooled liquid VP: 9.15E-007 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): 0.06026 log Kow used: 5.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.041897 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.03E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.753E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.12 (KowWin est) Log Kaw used: -6.433 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.553 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3858 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7938 (months ) Biowin4 (Primary Survey Model) : 2.7457 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0097 Biowin6 (MITI Non-Linear Model): 0.0275 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5578 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000122 Pa (9.15E-007 mm Hg) Log Koa (Koawin est ): 11.553 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0246 Octanol/air (Koa) model: 0.0877 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.47 Mackay model : 0.663 Octanol/air (Koa) model: 0.875 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 119.0546 E-12 cm3/molecule-sec Half-Life = 0.090 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.078 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.567 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.896E+004 Log Koc: 4.897 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 8.945E+000 L/mol-sec Ka Half-Life at pH 7: 8.968 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.240 (BCF = 1738) log Kow used: 5.12 (estimated) Volatilization from Water: Henry LC: 9.03E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.066E+005 hours (4442 days) Half-Life from Model Lake : 1.163E+006 hours (4.846E+004 days) Removal In Wastewater Treatment: Total removal: 81.16 percent Total biodegradation: 0.70 percent Total sludge adsorption: 80.46 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0257 2.16 1000 Water 7.13 1.44e+003 1000 Soil 64.7 2.88e+003 1000 Sediment 28.2 1.3e+004 0 Persistence Time: 2.72e+003 hr
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