Try beta.chemspider
- Double-bond stereo
- 1 of 1 defined stereocentres
(4Z,6R)-4-Methoxy-2,2,6,8,8-pentamethyl-3,7-dioxa-2,8-disilanon-4-ene
C[Si](C)(C)O[C@H](C)/C=C(/OC)O[Si](C)(C)C
InChI=1S/C11H26O3Si2/c1-10(13-15(3,4)5)9-11(12-2)14-16(6,7)8/h9-10H,1-8H3/b11-9-/t10-/m1/s1
NTVCTAPOSYJWLK-QLWWJYNRSA-N
CSID:9164292, http://www.chemspider.com/Chemical-Structure.9164292.html (accessed 02:30, Jul 2, 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) = 3.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 227.86 (Adapted Stein & Brown method) Melting Pt (deg C): -4.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0874 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 29.08 log Kow used: 3.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.6157e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.57E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.038E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.33 (KowWin est) Log Kaw used: -0.729 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.059 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2752 Biowin2 (Non-Linear Model) : 0.0155 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6104 (weeks-months) Biowin4 (Primary Survey Model) : 3.4593 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1085 Biowin6 (MITI Non-Linear Model): 0.0062 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2971 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): 11 Pa (0.0822 mm Hg) Log Koa (Koawin est ): 4.059 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.74E-007 Octanol/air (Koa) model: 2.81E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.89E-006 Mackay model : 2.19E-005 Octanol/air (Koa) model: 2.25E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 126.6985 E-12 cm3/molecule-sec Half-Life = 0.084 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.013 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.687500 E-17 cm3/molecule-sec Half-Life = 0.201 Days (at 7E11 mol/cm3) Half-Life = 4.836 Hrs Fraction sorbed to airborne particulates (phi): 1.59E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1255 Log Koc: 3.099 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 = 1.861 (BCF = 72.64) log Kow used: 3.33 (estimated) Volatilization from Water: Henry LC: 0.00457 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.861 hours Half-Life from Model Lake : 156.2 hours (6.506 days) Removal In Wastewater Treatment: Total removal: 66.41 percent Total biodegradation: 0.08 percent Total sludge adsorption: 6.61 percent Total to Air: 59.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.437 1.43 1000 Water 23.3 900 1000 Soil 75.2 1.8e+003 1000 Sediment 1.13 8.1e+003 0 Persistence Time: 349 hr
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