Try beta.chemspider
Dimethyl(2-methyl-2-propanyl){4-[(tetrahydro-2H-pyran-2-yloxy)methyl]phenoxy}silane
O(Cc1ccc(O[Si](C(C)(C)C)(C)C)cc1)C2OCCCC2
InChI=1S/C18H30O3Si/c1-18(2,3)22(4,5)21-16-11-9-15(10-12-16)14-20-17-8-6-7-13-19-17/h9-12,17H,6-8,13-14H2,1-5H3
BBPGBGBIIWBADW-UHFFFAOYSA-N
CSID:9545622, http://www.chemspider.com/Chemical-Structure.9545622.html (accessed 17:27, Jun 15, 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) = 6.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 357.89 (Adapted Stein & Brown method) Melting Pt (deg C): 112.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.18E-005 (Modified Grain method) Subcooled liquid VP: 8.57E-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): 0.06565 log Kow used: 6.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.7998 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.38E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.628E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.02 (KowWin est) Log Kaw used: -4.249 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.269 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.2846 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2570 (weeks-months) Biowin4 (Primary Survey Model) : 3.2095 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1062 Biowin6 (MITI Non-Linear Model): 0.0048 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2402 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): 0.0114 Pa (8.57E-005 mm Hg) Log Koa (Koawin est ): 10.269 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000263 Octanol/air (Koa) model: 0.00456 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00939 Mackay model : 0.0206 Octanol/air (Koa) model: 0.267 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.2854 E-12 cm3/molecule-sec Half-Life = 0.193 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.322 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.015 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3628 Log Koc: 3.560 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 = 3.934 (BCF = 8587) log Kow used: 6.02 (estimated) Volatilization from Water: Henry LC: 1.38E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 763.8 hours (31.82 days) Half-Life from Model Lake : 8483 hours (353.4 days) Removal In Wastewater Treatment: Total removal: 92.24 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.47 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 0.0833 4.64 1000 Water 4.01 900 1000 Soil 35.4 1.8e+003 1000 Sediment 60.5 8.1e+003 0 Persistence Time: 2.48e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight