Try beta.chemspider
- 1 of 1 defined stereocentres
(R)-(2-Methyl-1-cyclopenten-1-yl)(trimethylsilyl)methyl diisopropylcarbamate
O=C(O[C@@H](\C1=C(/C)CCC1)[Si](C)(C)C)N(C(C)C)C(C)C
InChI=1S/C17H33NO2Si/c1-12(2)18(13(3)4)17(19)20-16(21(6,7)8)15-11-9-10-14(15)5/h12-13,16H,9-11H2,1-8H3/t16-/m1/s1
PYFWLXLDJFKMHS-MRXNPFEDSA-N
CSID:9231199, http://www.chemspider.com/Chemical-Structure.9231199.html (accessed 02:37, Jul 4, 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) = 6.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 321.10 (Adapted Stein & Brown method) Melting Pt (deg C): 80.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000188 (Modified Grain method) Subcooled liquid VP: 0.000632 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): 0.01891 log Kow used: 6.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.023106 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.26E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.075E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.73 (KowWin est) Log Kaw used: -3.667 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.397 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6788 Biowin2 (Non-Linear Model) : 0.3999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4640 (weeks-months) Biowin4 (Primary Survey Model) : 3.5919 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3477 Biowin6 (MITI Non-Linear Model): 0.0041 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6581 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): 0.0843 Pa (0.000632 mm Hg) Log Koa (Koawin est ): 10.397 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.56E-005 Octanol/air (Koa) model: 0.00612 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00128 Mackay model : 0.00284 Octanol/air (Koa) model: 0.329 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 155.6720 E-12 cm3/molecule-sec Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.825 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 576.712463 E-17 cm3/molecule-sec Half-Life = 0.002 Days (at 7E11 mol/cm3) Half-Life = 2.861 Min Fraction sorbed to airborne particulates (phi): 0.00206 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.325E+004 Log Koc: 4.122 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.012E-014 L/mol-sec Kb Half-Life at pH 8: 7.291E+011 years Kb Half-Life at pH 7: 7.291E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 4.480 (BCF = 3.018e+004) log Kow used: 6.73 (estimated) Volatilization from Water: Henry LC: 5.26E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 198.3 hours (8.261 days) Half-Life from Model Lake : 2311 hours (96.29 days) Removal In Wastewater Treatment: Total removal: 93.68 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.90 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 0.000763 0.0463 1000 Water 2.37 900 1000 Soil 29.6 1.8e+003 1000 Sediment 68 8.1e+003 0 Persistence Time: 2.93e+003 hr
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