Try beta.chemspider
(1-Isopropenyl-5,6-dimethylbicyclo[2.2.1]hept-5-en-2-yl)methanol
CC1=C(C2(CC1CC2CO)C(=C)C)C
InChI=1S/C13H20O/c1-8(2)13-6-11(5-12(13)7-14)9(3)10(13)4/h11-12,14H,1,5-7H2,2-4H3
MLDAJXVVSUEALX-UHFFFAOYSA-N
CSID:77689, http://www.chemspider.com/Chemical-Structure.77689.html (accessed 14:56, Apr 27, 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) = 4.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 276.61 (Adapted Stein & Brown method) Melting Pt (deg C): 66.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000242 (Modified Grain method) Subcooled liquid VP: 0.000598 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): 36.13 log Kow used: 4.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 58.192 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.69E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.695E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.25 (KowWin est) Log Kaw used: -3.161 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.411 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6308 Biowin2 (Non-Linear Model) : 0.4189 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7221 (weeks-months) Biowin4 (Primary Survey Model) : 3.5463 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4962 Biowin6 (MITI Non-Linear Model): 0.2965 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1137 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): 0.0797 Pa (0.000598 mm Hg) Log Koa (Koawin est ): 7.411 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.76E-005 Octanol/air (Koa) model: 6.32E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00136 Mackay model : 0.003 Octanol/air (Koa) model: 0.000506 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 170.9646 E-12 cm3/molecule-sec Half-Life = 0.063 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.751 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 49.196873 E-17 cm3/molecule-sec Half-Life = 0.023 Days (at 7E11 mol/cm3) Half-Life = 33.544 Min Fraction sorbed to airborne particulates (phi): 0.00218 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 379.6 Log Koc: 2.579 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 = 2.575 (BCF = 375.7) log Kow used: 4.25 (estimated) Volatilization from Water: Henry LC: 1.69E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 49.46 hours (2.061 days) Half-Life from Model Lake : 655.8 hours (27.33 days) Removal In Wastewater Treatment: Total removal: 42.97 percent Total biodegradation: 0.42 percent Total sludge adsorption: 42.03 percent Total to Air: 0.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0191 0.407 1000 Water 15.4 900 1000 Soil 78.1 1.8e+003 1000 Sediment 6.5 8.1e+003 0 Persistence Time: 1.1e+003 hr
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