Try beta.chemspider
- 2 of 2 defined stereocentres
(1R,2R)-1-(1-Cyclopenten-1-yl)-2-{2-[(triisopropylsilyl)oxy]ethyl}cyclopropanol
O([Si](C(C)C)(C(C)C)C(C)C)CC[C@H]2[C@@](O)(/C1=C/CCC1)C2
InChI=1S/C19H36O2Si/c1-14(2)22(15(3)4,16(5)6)21-12-11-18-13-19(18,20)17-9-7-8-10-17/h9,14-16,18,20H,7-8,10-13H2,1-6H3/t18-,19+/m1/s1
WNETUBONQXMPTE-MOPGFXCFSA-N
CSID:9361481, http://www.chemspider.com/Chemical-Structure.9361481.html (accessed 05:46, Jun 1, 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) = 6.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 348.38 (Adapted Stein & Brown method) Melting Pt (deg C): 107.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.04E-007 (Modified Grain method) Subcooled liquid VP: 5.81E-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): 0.03274 log Kow used: 6.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.7756 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.37E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.179E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.95 (KowWin est) Log Kaw used: -3.466 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.416 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4091 Biowin2 (Non-Linear Model) : 0.0348 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2698 (weeks-months) Biowin4 (Primary Survey Model) : 3.2260 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1391 Biowin6 (MITI Non-Linear Model): 0.0072 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9353 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): 0.000775 Pa (5.81E-006 mm Hg) Log Koa (Koawin est ): 10.416 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00387 Octanol/air (Koa) model: 0.0064 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.123 Mackay model : 0.237 Octanol/air (Koa) model: 0.339 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 108.1596 E-12 cm3/molecule-sec Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.187 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.18 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.572E+004 Log Koc: 4.553 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 = 4.655 (BCF = 4.519e+004) log Kow used: 6.95 (estimated) Volatilization from Water: Henry LC: 8.37E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 127.9 hours (5.328 days) Half-Life from Model Lake : 1546 hours (64.41 days) Removal In Wastewater Treatment: Total removal: 93.82 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.04 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 0.0226 1.45 1000 Water 2.18 900 1000 Soil 29.1 1.8e+003 1000 Sediment 68.7 8.1e+003 0 Persistence Time: 3e+003 hr
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