Try beta.chemspider
2-Methyl-1,1,2-triphenyl-1-propanol
CC(C)(c1ccccc1)C(c2ccccc2)(c3ccccc3)O
InChI=1S/C22H22O/c1-21(2,18-12-6-3-7-13-18)22(23,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,23H,1-2H3
BWWGNKWLWJYVGN-UHFFFAOYSA-N
CSID:247548, http://www.chemspider.com/Chemical-Structure.247548.html (accessed 05:29, Jun 1, 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) = 5.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 412.31 (Adapted Stein & Brown method) Melting Pt (deg C): 147.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.56E-009 (Modified Grain method) Subcooled liquid VP: 8.04E-008 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): 0.4799 log Kow used: 5.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.18086 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.31E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.781E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.74 (KowWin est) Log Kaw used: -6.869 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.609 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6200 Biowin2 (Non-Linear Model) : 0.6604 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1727 (months ) Biowin4 (Primary Survey Model) : 3.1192 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0718 Biowin6 (MITI Non-Linear Model): 0.0275 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7684 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): 1.07E-005 Pa (8.04E-008 mm Hg) Log Koa (Koawin est ): 12.609 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.28 Octanol/air (Koa) model: 0.998 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.91 Mackay model : 0.957 Octanol/air (Koa) model: 0.988 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.3618 E-12 cm3/molecule-sec Half-Life = 0.800 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.606 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.934 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.724E+004 Log Koc: 4.988 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 = 3.721 (BCF = 5266) log Kow used: 5.74 (estimated) Volatilization from Water: Henry LC: 3.31E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.076E+005 hours (1.282E+004 days) Half-Life from Model Lake : 3.356E+006 hours (1.398E+005 days) Removal In Wastewater Treatment: Total removal: 90.65 percent Total biodegradation: 0.76 percent Total sludge adsorption: 89.89 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 0.06 19.2 1000 Water 3.41 1.44e+003 1000 Soil 51.5 2.88e+003 1000 Sediment 45 1.3e+004 0 Persistence Time: 4.25e+003 hr
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