Try beta.chemspider
Bicyclo[3.3.1]nonan-1-ol
C1CC2CCCC(C1)(C2)O
InChI=1S/C9H16O/c10-9-5-1-3-8(7-9)4-2-6-9/h8,10H,1-7H2
XHUCMLZPYDPQLE-UHFFFAOYSA-N
CSID:492178, http://www.chemspider.com/Chemical-Structure.492178.html (accessed 11:40, Jul 7, 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) = 2.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 206.54 (Adapted Stein & Brown method) Melting Pt (deg C): 17.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0496 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1814 log Kow used: 2.55 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3763.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.05E-006 atm-m3/mole Group Method: 9.30E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.045E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.55 (KowWin est) Log Kaw used: -3.685 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.235 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4969 Biowin2 (Non-Linear Model) : 0.3305 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6772 (weeks-months) Biowin4 (Primary Survey Model) : 3.4920 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5131 Biowin6 (MITI Non-Linear Model): 0.5993 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2988 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): 5.97 Pa (0.0448 mm Hg) Log Koa (Koawin est ): 6.235 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.02E-007 Octanol/air (Koa) model: 4.22E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.81E-005 Mackay model : 4.02E-005 Octanol/air (Koa) model: 3.37E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.4988 E-12 cm3/molecule-sec Half-Life = 0.475 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.705 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.92E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 44.53 Log Koc: 1.649 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 = 1.260 (BCF = 18.18) log Kow used: 2.55 (estimated) Volatilization from Water: Henry LC: 9.3E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 746.7 hours (31.11 days) Half-Life from Model Lake : 8245 hours (343.6 days) Removal In Wastewater Treatment: Total removal: 3.30 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.14 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.482 11.4 1000 Water 22.4 900 1000 Soil 76.9 1.8e+003 1000 Sediment 0.201 8.1e+003 0 Persistence Time: 967 hr
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