Try beta.chemspider
Benzo[3,4]cyclobuta[1,2-b]biphenylene-2,3-diylbis(trimethylsilane)
C[Si](C)(C)c1cc2c3cc4c5ccccc5c4cc3c2cc1[Si](C)(C)C
InChI=1S/C24H26Si2/c1-25(2,3)23-13-21-19-11-17-15-9-7-8-10-16(15)18(17)12-20(19)22(21)14-24(23)26(4,5)6/h7-14H,1-6H3
JCDSCBKNGPDVQJ-UHFFFAOYSA-N
CSID:9123901, http://www.chemspider.com/Chemical-Structure.9123901.html (accessed 10:19, May 11, 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) = 9.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 418.75 (Adapted Stein & Brown method) Melting Pt (deg C): 168.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.67E-008 (Modified Grain method) Subcooled liquid VP: 2.9E-006 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): 2.531e-005 log Kow used: 9.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00028056 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.61E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.863E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.68 (KowWin est) Log Kaw used: -2.972 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.652 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5711 Biowin2 (Non-Linear Model) : 0.0950 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3801 (weeks-months) Biowin4 (Primary Survey Model) : 3.3130 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3264 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3610 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): 0.000387 Pa (2.9E-006 mm Hg) Log Koa (Koawin est ): 12.652 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00776 Octanol/air (Koa) model: 1.1 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.219 Mackay model : 0.383 Octanol/air (Koa) model: 0.989 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 273.0423 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.205 Min Ozone Reaction: OVERALL Ozone Rate Constant = 1401.779907 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.177 Min Fraction sorbed to airborne particulates (phi): 0.301 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.227E+007 Log Koc: 7.089 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 = 1.144 (BCF = 13.92) log Kow used: 9.68 (estimated) Volatilization from Water: Henry LC: 2.61E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 45.15 hours (1.881 days) Half-Life from Model Lake : 654 hours (27.25 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.000299 0.0192 1000 Water 1.9 900 1000 Soil 28 1.8e+003 1000 Sediment 70.1 8.1e+003 0 Persistence Time: 3.1e+003 hr
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