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[1,2-Ethynediylbis(3,1-phenylene-2,1-ethynediyl)]bis(trimethylsilane)
C[Si](C)(C)C#Cc1cccc(c1)C#Cc2cccc(c2)C#C[Si](C)(C)C
InChI=1S/C24H26Si2/c1-25(2,3)17-15-23-11-7-9-21(19-23)13-14-22-10-8-12-24(20-22)16-18-26(4,5)6/h7-12,19-20H,1-6H3
RZSGYTDCEOHWAJ-UHFFFAOYSA-N
CSID:17244074, http://www.chemspider.com/Chemical-Structure.17244074.html (accessed 22:47, Jun 3, 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) = 8.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 430.56 (Adapted Stein & Brown method) Melting Pt (deg C): 180.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.61E-008 (Modified Grain method) Subcooled liquid VP: 1.49E-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): 0.0002865 log Kow used: 8.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7065e-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 : 7.79E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.145E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.44 (KowWin est) Log Kaw used: -3.497 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.937 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) : -0.3223 Biowin6 (MITI Non-Linear Model): 0.0008 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4048 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): 0.000199 Pa (1.49E-006 mm Hg) Log Koa (Koawin est ): 11.937 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0151 Octanol/air (Koa) model: 0.212 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.353 Mackay model : 0.547 Octanol/air (Koa) model: 0.944 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 82.9648 E-12 cm3/molecule-sec Half-Life = 0.129 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.547 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.504000 E-17 cm3/molecule-sec Half-Life = 2.274 Days (at 7E11 mol/cm3) Half-Life = 54.571 Hrs Fraction sorbed to airborne particulates (phi): 0.45 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.149E+007 Log Koc: 7.060 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 = 2.834 (BCF = 683.1) log Kow used: 8.44 (estimated) Volatilization from Water: Henry LC: 7.79E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 146.7 hours (6.111 days) Half-Life from Model Lake : 1761 hours (73.39 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.0408 2.93 1000 Water 1.89 900 1000 Soil 28.8 1.8e+003 1000 Sediment 69.3 8.1e+003 0 Persistence Time: 3.14e+003 hr
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