Tripropylsilyl pentadecanoate
CCCCCCCCCCCCCCC(=O)O[Si](CCC)(CCC)CCC
InChI=1S/C24H50O2Si/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-24(25)26-27(21-6-2,22-7-3)23-8-4/h5-23H2,1-4H3
OXBXTCILEAGAJZ-UHFFFAOYSA-N
CSID:548770, http://www.chemspider.com/Chemical-Structure.548770.html (accessed 05:22, Apr 19, 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) = 11.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 406.74 (Adapted Stein & Brown method) Melting Pt (deg C): 130.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5E-007 (Modified Grain method) Subcooled liquid VP: 5.7E-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): 4.91e-007 log Kow used: 11.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.654e-006 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 : 7.17E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.343E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 11.48 (KowWin est) Log Kaw used: 1.467 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.013 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6661 Biowin2 (Non-Linear Model) : 0.3079 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6163 (weeks-months) Biowin4 (Primary Survey Model) : 3.5415 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4664 Biowin6 (MITI Non-Linear Model): 0.3213 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6939 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): 0.00076 Pa (5.7E-006 mm Hg) Log Koa (Koawin est ): 10.013 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00395 Octanol/air (Koa) model: 0.00253 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.125 Mackay model : 0.24 Octanol/air (Koa) model: 0.168 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 24.9552 E-12 cm3/molecule-sec Half-Life = 0.429 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.143 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.182 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.56E+006 Log Koc: 6.408 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 = 0.500 (BCF = 3.162) log Kow used: 11.48 (estimated) Volatilization from Water: Henry LC: 0.717 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.039 hours Half-Life from Model Lake : 189.7 hours (7.904 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 0.13 10.3 1000 Water 1.88 900 1000 Soil 28.7 1.8e+003 1000 Sediment 69.2 8.1e+003 0 Persistence Time: 3.15e+003 hr
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