Try beta.chemspider
Trimethylsilyl 2-[(trimethylsilyl)oxy]-3-{4-[(trimethylsilyl)oxy]phenyl}propanoate
C[Si](C)(C)Oc1ccc(cc1)CC(C(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChI=1S/C18H34O4Si3/c1-23(2,3)20-16-12-10-15(11-13-16)14-17(21-24(4,5)6)18(19)22-25(7,8)9/h10-13,17H,14H2,1-9H3
ZSYIYFFJWIPCPN-UHFFFAOYSA-N
CSID:453880, http://www.chemspider.com/Chemical-Structure.453880.html (accessed 03:59, 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) = 7.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 356.22 (Adapted Stein & Brown method) Melting Pt (deg C): 98.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.8E-005 (Modified Grain method) Subcooled liquid VP: 9.39E-005 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): 0.002502 log Kow used: 7.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 32.951 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.09E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.774E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.14 (KowWin est) Log Kaw used: -1.604 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.744 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6124 Biowin2 (Non-Linear Model) : 0.1114 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2432 (months ) Biowin4 (Primary Survey Model) : 3.2039 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5439 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5494 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): 0.0125 Pa (9.39E-005 mm Hg) Log Koa (Koawin est ): 8.744 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00024 Octanol/air (Koa) model: 0.000136 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00858 Mackay model : 0.0188 Octanol/air (Koa) model: 0.0108 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.2062 E-12 cm3/molecule-sec Half-Life = 0.322 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.865 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0137 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.237E+005 Log Koc: 5.350 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 = 4.621 (BCF = 4.182e+004) log Kow used: 7.14 (estimated) Volatilization from Water: Henry LC: 0.000609 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.957 hours Half-Life from Model Lake : 210.6 hours (8.775 days) Removal In Wastewater Treatment: Total removal: 93.90 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.09 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.077 7.73 1000 Water 1.51 1.44e+003 1000 Soil 31 2.88e+003 1000 Sediment 67.4 1.3e+004 0 Persistence Time: 4.48e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight