Try beta.chemspider
Methyl 6-{[dimethyl(2-methyl-2-propanyl)silyl]oxy}octadecanoate
CCCCCCCCCCCCC(CCCCC(=O)OC)O[Si](C)(C)C(C)(C)C
InChI=1S/C25H52O3Si/c1-8-9-10-11-12-13-14-15-16-17-20-23(21-18-19-22-24(26)27-5)28-29(6,7)25(2,3)4/h23H,8-22H2,1-7H3
LJCXJJZSIUCDRT-UHFFFAOYSA-N
CSID:459190, http://www.chemspider.com/Chemical-Structure.459190.html (accessed 08:56, Jun 5, 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) = 10.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 411.81 (Adapted Stein & Brown method) Melting Pt (deg C): 142.49 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.78E-007 (Modified Grain method) Subcooled liquid VP: 4.29E-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): 2.067e-006 log Kow used: 10.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00020977 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.39E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.588E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 10.53 (KowWin est) Log Kaw used: -0.465 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.995 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6421 Biowin2 (Non-Linear Model) : 0.7540 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4781 (weeks-months) Biowin4 (Primary Survey Model) : 3.5737 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5413 Biowin6 (MITI Non-Linear Model): 0.3708 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0230 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): 0.000572 Pa (4.29E-006 mm Hg) Log Koa (Koawin est ): 10.995 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00524 Octanol/air (Koa) model: 0.0243 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.159 Mackay model : 0.296 Octanol/air (Koa) model: 0.66 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 38.9641 E-12 cm3/molecule-sec Half-Life = 0.275 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.294 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.227 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.674E+006 Log Koc: 6.565 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.634E-002 L/mol-sec Kb Half-Life at pH 8: 120.916 days Kb Half-Life at pH 7: 3.310 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 10.53 (estimated) Volatilization from Water: Henry LC: 0.00839 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.258 hours Half-Life from Model Lake : 198.3 hours (8.261 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0879 6.59 1000 Water 1.88 900 1000 Soil 28.7 1.8e+003 1000 Sediment 69.4 8.1e+003 0 Persistence Time: 3.14e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight