Try beta.chemspider
2-Cycloocten-1-ol
C1CCC=CC(CC1)O
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h4,6,8-9H,1-3,5,7H2
UJZBDMYKNUWDPM-UHFFFAOYSA-N
CSID:88791, http://www.chemspider.com/Chemical-Structure.88791.html (accessed 14:32, Apr 26, 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) = 2.40 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 209.26 (Adapted Stein & Brown method) Melting Pt (deg C): -11.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0421 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2722 log Kow used: 2.40 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10955 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.59E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.568E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.40 (KowWin est) Log Kaw used: -3.508 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.908 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8462 Biowin2 (Non-Linear Model) : 0.9117 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0803 (weeks ) Biowin4 (Primary Survey Model) : 3.7951 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6213 Biowin6 (MITI Non-Linear Model): 0.7304 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2612 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): 5.08 Pa (0.0381 mm Hg) Log Koa (Koawin est ): 5.908 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.91E-007 Octanol/air (Koa) model: 1.99E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.13E-005 Mackay model : 4.72E-005 Octanol/air (Koa) model: 1.59E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 71.6927 E-12 cm3/molecule-sec Half-Life = 0.149 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.790 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 3.43E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 27.57 Log Koc: 1.441 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 = 1.151 (BCF = 14.17) log Kow used: 2.40 (estimated) Volatilization from Water: Henry LC: 7.59E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 87.8 hours (3.658 days) Half-Life from Model Lake : 1052 hours (43.84 days) Removal In Wastewater Treatment: Total removal: 3.25 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.73 percent Total to Air: 0.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.115 0.994 1000 Water 28 360 1000 Soil 71.7 720 1000 Sediment 0.167 3.24e+003 0 Persistence Time: 430 hr
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