Try beta.chemspider
- 1 of 1 defined stereocentres
Dimethyl(2-methyl-2-propanyl)[(2S)-2-oxiranylmethoxy]silane
CC(C)(C)[Si](C)(C)OC[C@@H]1CO1
InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-7-8-6-10-8/h8H,6-7H2,1-5H3/t8-/m0/s1
YANSSVVGZPNSKD-QMMMGPOBSA-N
CSID:9129524, http://www.chemspider.com/Chemical-Structure.9129524.html (accessed 22:42, Apr 29, 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) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 174.31 (Adapted Stein & Brown method) Melting Pt (deg C): -8.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.27 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 227.4 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31137 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.20E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.384E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -2.475 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.215 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1266 Biowin2 (Non-Linear Model) : 0.0080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5622 (weeks-months) Biowin4 (Primary Survey Model) : 3.4128 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3045 Biowin6 (MITI Non-Linear Model): 0.1207 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2078 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): 153 Pa (1.15 mm Hg) Log Koa (Koawin est ): 5.215 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.96E-008 Octanol/air (Koa) model: 4.03E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.07E-007 Mackay model : 1.57E-006 Octanol/air (Koa) model: 3.22E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3071 E-12 cm3/molecule-sec Half-Life = 1.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.451 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.14E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 155.7 Log Koc: 2.192 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 2.507E-003 L/mol-sec Ka Half-Life at pH 7: 87.596 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.412 (BCF = 25.85) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 8.2E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.2 hours Half-Life from Model Lake : 237.2 hours (9.885 days) Removal In Wastewater Treatment: Total removal: 7.90 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.79 percent Total to Air: 4.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.72 30.9 1000 Water 18.2 900 1000 Soil 79.8 1.8e+003 1000 Sediment 0.238 8.1e+003 0 Persistence Time: 843 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight