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- 1 of 1 defined stereocentres
(2R)-2-{[(Triisopropylsilyl)oxy]methyl}-1-butanol
O(C[C@H](CC)CO)[Si](C(C)C)(C(C)C)C(C)C
InChI=1S/C14H32O2Si/c1-8-14(9-15)10-16-17(11(2)3,12(4)5)13(6)7/h11-15H,8-10H2,1-7H3/t14-/m1/s1
BHDSFUNGZZZCLM-CQSZACIVSA-N
CSID:9497892, http://www.chemspider.com/Chemical-Structure.9497892.html (accessed 07:43, Apr 30, 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) = 4.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 282.63 (Adapted Stein & Brown method) Melting Pt (deg C): 28.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000382 (Modified Grain method) Subcooled liquid VP: 0.000409 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): 3.637 log Kow used: 4.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 368.82 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.01E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.600E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.99 (KowWin est) Log Kaw used: -3.384 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.374 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7823 Biowin2 (Non-Linear Model) : 0.6053 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7835 (weeks ) Biowin4 (Primary Survey Model) : 3.6014 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0467 Biowin6 (MITI Non-Linear Model): 0.0490 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1736 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): 0.0545 Pa (0.000409 mm Hg) Log Koa (Koawin est ): 8.374 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.5E-005 Octanol/air (Koa) model: 5.81E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00198 Mackay model : 0.00438 Octanol/air (Koa) model: 0.00462 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.1630 E-12 cm3/molecule-sec Half-Life = 0.355 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.255 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00318 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1835 Log Koc: 3.264 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 = 3.145 (BCF = 1397) log Kow used: 4.99 (estimated) Volatilization from Water: Henry LC: 1.01E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 95.21 hours (3.967 days) Half-Life from Model Lake : 1174 hours (48.92 days) Removal In Wastewater Treatment: Total removal: 77.42 percent Total biodegradation: 0.67 percent Total sludge adsorption: 76.65 percent Total to Air: 0.10 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.655 8.51 1000 Water 18 360 1000 Soil 61.2 720 1000 Sediment 20.1 3.24e+003 0 Persistence Time: 568 hr
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