9-Phenyl-1-nonanol
C1=CC=C(C=C1)CCCCCCCCCO
InChI=1S/C15H24O/c16-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13,16H,1-5,7,10-11,14H2
AAOYEEWVNUXGDK-UHFFFAOYSA-N
CSID:5385215, http://www.chemspider.com/Chemical-Structure.5385215.html (accessed 08:52, Apr 18, 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) = 5.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.95 (Adapted Stein & Brown method) Melting Pt (deg C): 77.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.79E-006 (Modified Grain method) Subcooled liquid VP: 1.5E-005 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): 5.905 log Kow used: 5.00 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3303 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.10E-006 atm-m3/mole Group Method: 1.14E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.352E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.00 (KowWin est) Log Kaw used: -4.066 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.066 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9841 Biowin2 (Non-Linear Model) : 0.9669 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8193 (weeks ) Biowin4 (Primary Survey Model) : 3.5956 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5984 Biowin6 (MITI Non-Linear Model): 0.7466 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7960 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.002 Pa (1.5E-005 mm Hg) Log Koa (Koawin est ): 9.066 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0015 Octanol/air (Koa) model: 0.000286 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0514 Mackay model : 0.107 Octanol/air (Koa) model: 0.0223 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.0461 E-12 cm3/molecule-sec Half-Life = 0.534 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.403 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0793 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2097 Log Koc: 3.322 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 = 1.503 (BCF = 31.86) log Kow used: 5.00 (estimated) Volatilization from Water: Henry LC: 1.14E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 763.9 hours (31.83 days) Half-Life from Model Lake : 8458 hours (352.4 days) Removal In Wastewater Treatment: Total removal: 77.71 percent Total biodegradation: 0.68 percent Total sludge adsorption: 77.02 percent Total to Air: 0.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.822 12.8 1000 Water 17.7 360 1000 Soil 61.2 720 1000 Sediment 20.3 3.24e+003 0 Persistence Time: 595 hr
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