Try beta.chemspider
1,2-Bis(methoxyethynyl)-1,1,2,2-tetraphenyldisilane
O(C#C[Si](c1ccccc1)(c2ccccc2)[Si](C#COC)(c3ccccc3)c4ccccc4)C
InChI=1S/C30H26O2Si2/c1-31-23-25-33(27-15-7-3-8-16-27,28-17-9-4-10-18-28)34(26-24-32-2,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22H,1-2H3
RLNJLHRWKXSDRG-UHFFFAOYSA-N
CSID:9469443, http://www.chemspider.com/Chemical-Structure.9469443.html (accessed 00:44, Jul 6, 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) = 7.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 544.96 (Adapted Stein & Brown method) Melting Pt (deg C): 233.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.11E-011 (Modified Grain method) Subcooled liquid VP: 1.96E-009 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): 0.0002452 log Kow used: 7.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0066602 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]: 2.828E-008 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) : 0.3392 Biowin2 (Non-Linear Model) : 0.0325 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2208 (months ) Biowin4 (Primary Survey Model) : 3.1629 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5320 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8734 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): 2.61E-007 Pa (1.96E-009 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 11.5 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.998 Mackay model : 0.999 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 79.6586 E-12 cm3/molecule-sec Half-Life = 0.134 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.611 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.000000 E-17 cm3/molecule-sec Half-Life =30206544432800039000000000000000000000000.000 Days (at 7E11 mol cm3) Fraction sorbed to airborne particulates (phi): 0.998 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.055E+007 Log Koc: 7.023 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 = 3.769 (BCF = 5872) log Kow used: 7.76 (estimated) Volatilization from Water: Henry LC: 2.83E-008 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 4.512E+004 hours (1880 days) Half-Life from Model Lake : 4.924E+005 hours (2.051E+004 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.027 3.22 1000 Water 1.39 1.44e+003 1000 Soil 31.7 2.88e+003 1000 Sediment 66.9 1.3e+004 0 Persistence Time: 4.84e+003 hr
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