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2,2-Dihexyl-3,3-dimethyl-1-phenyl-2,3-disilabicyclo[2.2.2]octa-5,7-diene
C\1=C\C2(/C=C\C/1[Si](C)(C)[Si]2(CCCCCC)CCCCCC)c3ccccc3
InChI=1S/C26H42Si2/c1-5-7-9-14-22-28(23-15-10-8-6-2)26(24-16-12-11-13-17-24)20-18-25(19-21-26)27(28,3)4/h11-13,16-21,25H,5-10,14-15,22-23H2,1-4H3
MNVGXCXFYNPPAF-UHFFFAOYSA-N
CSID:9525348, http://www.chemspider.com/Chemical-Structure.9525348.html (accessed 21:02, Jun 5, 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) = 11.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 402.58 (Adapted Stein & Brown method) Melting Pt (deg C): 157.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.2E-007 (Modified Grain method) Subcooled liquid VP: 7.2E-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): 3.846e-007 log Kow used: 11.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.108e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.497E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7130 Biowin2 (Non-Linear Model) : 0.7188 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6979 (weeks-months) Biowin4 (Primary Survey Model) : 3.6446 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1317 Biowin6 (MITI Non-Linear Model): 0.0184 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7056 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): 0.00096 Pa (7.2E-006 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00313 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.101 Mackay model : 0.2 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 133.1669 E-12 cm3/molecule-sec Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.964 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.275000 E-17 cm3/molecule-sec Half-Life = 0.504 Days (at 7E11 mol/cm3) Half-Life = 12.090 Hrs Fraction sorbed to airborne particulates (phi): 0.151 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.64E+007 Log Koc: 7.822 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 = 0.500 (BCF = 3.162) log Kow used: 11.52 (estimated) Volatilization from Water: Henry LC: 0.45 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 2.071 hours Half-Life from Model Lake : 192.5 hours (8.023 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 0.0249 1.66 1000 Water 1.9 900 1000 Soil 28.1 1.8e+003 1000 Sediment 70 8.1e+003 0 Persistence Time: 3.1e+003 hr
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