Try beta.chemspider
- Double-bond stereo
Dimethyl({3-methyl-2-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl}oxy)(2-methyl-2-propanyl)silane
O([Si](C)(C(C)(C)C)C)C1C(=C(/CC1)C)\C\C=C/CC
InChI=1S/C17H32OSi/c1-8-9-10-11-15-14(2)12-13-16(15)18-19(6,7)17(3,4)5/h9-10,16H,8,11-13H2,1-7H3/b10-9-
HHJCAPDVOLNVJL-KTKRTIGZSA-N
CSID:9826798, http://www.chemspider.com/Chemical-Structure.9826798.html (accessed 20:16, May 17, 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) = 7.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 302.13 (Adapted Stein & Brown method) Melting Pt (deg C): 67.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000695 (Modified Grain method) Subcooled liquid VP: 0.00174 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): 0.005031 log Kow used: 7.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.6479 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.099E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.61 (KowWin est) Log Kaw used: 1.097 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.513 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5385 Biowin2 (Non-Linear Model) : 0.2985 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6655 (weeks-months) Biowin4 (Primary Survey Model) : 3.5586 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1112 Biowin6 (MITI Non-Linear Model): 0.0224 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6685 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): 0.232 Pa (0.00174 mm Hg) Log Koa (Koawin est ): 6.513 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.29E-005 Octanol/air (Koa) model: 8E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000467 Mackay model : 0.00103 Octanol/air (Koa) model: 6.4E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 180.3276 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 187.9276 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 0.712 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 0.683 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 133.000000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 140.000000 E-17 cm3/molecule-sec [Trans-] Half-Life = 0.207 Hrs (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 0.196 Hrs (at 7E11 mol/cm3) [Trans-isomer] Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.00075 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.749E+005 Log Koc: 5.243 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 = 3.973 (BCF = 9387) log Kow used: 7.61 (estimated) Volatilization from Water: Henry LC: 0.306 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.712 hours Half-Life from Model Lake : 159.1 hours (6.63 days) Removal In Wastewater Treatment: Total removal: 94.72 percent Total biodegradation: 0.70 percent Total sludge adsorption: 89.13 percent Total to Air: 4.89 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00293 0.181 1000 Water 1.96 900 1000 Soil 28.3 1.8e+003 1000 Sediment 69.7 8.1e+003 0 Persistence Time: 3.03e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight