2-Phenyl-2-propanol
CC(C)(c1ccccc1)O
InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3
BDCFWIDZNLCTMF-UHFFFAOYSA-N
CSID:11556, http://www.chemspider.com/Chemical-Structure.11556.html (accessed 16:47, Apr 16, 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) = 1.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 209.77 (Adapted Stein & Brown method) Melting Pt (deg C): 8.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0468 (Modified Grain method) MP (exp database): 36 deg C BP (exp database): 202 deg C VP (exp database): 5.20E-01 mm Hg at 38 deg C Subcooled liquid VP: 0.0588 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): 6113 log Kow used: 1.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8448.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.83E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.372E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.95 (KowWin est) Log Kaw used: -4.805 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.755 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6269 Biowin2 (Non-Linear Model) : 0.7596 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7081 (weeks-months) Biowin4 (Primary Survey Model) : 3.5027 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4165 Biowin6 (MITI Non-Linear Model): 0.4091 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0837 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): 7.84 Pa (0.0588 mm Hg) Log Koa (Koawin est ): 6.755 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.83E-007 Octanol/air (Koa) model: 1.4E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-005 Mackay model : 3.06E-005 Octanol/air (Koa) model: 0.000112 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.4694 E-12 cm3/molecule-sec Half-Life = 1.956 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 23.467 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.22E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.72 Log Koc: 1.553 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 = 0.799 (BCF = 6.293) log Kow used: 1.95 (estimated) Volatilization from Water: Henry LC: 3.83E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1785 hours (74.38 days) Half-Life from Model Lake : 1.957E+004 hours (815.5 days) Removal In Wastewater Treatment: Total removal: 2.22 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.11 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.22 46.9 1000 Water 29.5 900 1000 Soil 69.1 1.8e+003 1000 Sediment 0.108 8.1e+003 0 Persistence Time: 917 hr
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