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3-[(Trimethylsilyl)oxy]gorgost-5-ene
CC(C)C(C)C1(CC1C(C)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O[Si](C)(C)C)C)C)C
InChI=1S/C33H58OSi/c1-21(2)23(4)33(7)20-30(33)22(3)27-13-14-28-26-12-11-24-19-25(34-35(8,9)10)15-17-31(24,5)29(26)16-18-32(27,28)6/h11,21-23,25-30H,12-20H2,1-10H3
XQQJUXMQEBAABW-UHFFFAOYSA-N
CSID:473248, http://www.chemspider.com/Chemical-Structure.473248.html (accessed 09:30, May 21, 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) = 12.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.96 (Adapted Stein & Brown method) Melting Pt (deg C): 186.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.67E-009 (Modified Grain method) Subcooled liquid VP: 2.78E-007 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): 2.211e-008 log Kow used: 12.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4027e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.04E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.683E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.32 (KowWin est) Log Kaw used: 1.629 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.691 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0418 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4603 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6676 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4588 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.3768 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): 3.71E-005 Pa (2.78E-007 mm Hg) Log Koa (Koawin est ): 10.691 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0809 Octanol/air (Koa) model: 0.0121 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.745 Mackay model : 0.866 Octanol/air (Koa) model: 0.491 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 136.3797 E-12 cm3/molecule-sec Half-Life = 0.078 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.941 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs Fraction sorbed to airborne particulates (phi): 0.806 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.737E+009 Log Koc: 9.240 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: 12.32 (estimated) Volatilization from Water: Henry LC: 1.04 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.281 hours Half-Life from Model Lake : 212.2 hours (8.84 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 0.00525 1.25 1000 Water 0.742 4.32e+003 1000 Soil 39.9 8.64e+003 1000 Sediment 59.4 3.89e+004 0 Persistence Time: 1.08e+004 hr
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