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10-(Trityloxy)-1-decanol
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCCCCCCCCCCO
InChI=1S/C29H36O2/c30-24-16-5-3-1-2-4-6-17-25-31-29(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23,30H,1-6,16-17,24-25H2
RUTCFJBXTHRHTM-UHFFFAOYSA-N
CSID:537220, http://www.chemspider.com/Chemical-Structure.537220.html (accessed 16:03, Apr 25, 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) = 8.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 526.36 (Adapted Stein & Brown method) Melting Pt (deg C): 216.58 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.63E-013 (Modified Grain method) Subcooled liquid VP: 2.9E-011 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): 0.001075 log Kow used: 8.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00033171 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.12E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.341E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.03 (KowWin est) Log Kaw used: -8.062 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.092 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5609 Biowin2 (Non-Linear Model) : 0.1759 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2837 (weeks-months) Biowin4 (Primary Survey Model) : 3.2276 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3204 Biowin6 (MITI Non-Linear Model): 0.1083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1396 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): 3.87E-009 Pa (2.9E-011 mm Hg) Log Koa (Koawin est ): 16.092 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 776 Octanol/air (Koa) model: 3.03E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.9682 E-12 cm3/molecule-sec Half-Life = 0.282 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.381 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.036E+006 Log Koc: 6.016 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 = 1.243 (BCF = 17.49) log Kow used: 8.03 (estimated) Volatilization from Water: Henry LC: 2.12E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.637E+006 hours (2.349E+005 days) Half-Life from Model Lake : 6.149E+007 hours (2.562E+006 days) Removal In Wastewater Treatment: Total removal: 94.02 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.24 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 0.0707 6.76 1000 Water 1.84 900 1000 Soil 31.2 1.8e+003 1000 Sediment 66.9 8.1e+003 0 Persistence Time: 3.3e+003 hr
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