Try beta.chemspider
Spiro[5.5]undecane
C1CCC2(CC1)CCCCC2
InChI=1S/C11H20/c1-3-7-11(8-4-1)9-5-2-6-10-11/h1-10H2
NECLQTPQJZSWOE-UHFFFAOYSA-N
CSID:119761, http://www.chemspider.com/Chemical-Structure.119761.html (accessed 05:31, 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) = 5.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 196.99 (Adapted Stein & Brown method) Melting Pt (deg C): -5.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.37 (Mean VP of Antoine & Grain methods) BP (exp database): 207 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5187 log Kow used: 5.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.1088 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.64E-001 atm-m3/mole Group Method: 1.51E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.429E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.41 (KowWin est) Log Kaw used: 1.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.132 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4911 Biowin2 (Non-Linear Model) : 0.2938 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6505 (weeks-months) Biowin4 (Primary Survey Model) : 3.4746 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5240 Biowin6 (MITI Non-Linear Model): 0.7097 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6983 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.6337 BioHC Half-Life (days) : 430.1837 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 45.6 Pa (0.342 mm Hg) Log Koa (Koawin est ): 4.132 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.58E-008 Octanol/air (Koa) model: 3.33E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.38E-006 Mackay model : 5.26E-006 Octanol/air (Koa) model: 2.66E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.1305 E-12 cm3/molecule-sec Half-Life = 0.757 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.083 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.82E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3179 Log Koc: 3.502 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 = 3.464 (BCF = 2910) log Kow used: 5.41 (estimated) Volatilization from Water: Henry LC: 0.464 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.261 hours Half-Life from Model Lake : 117.2 hours (4.884 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.55 percent Total biodegradation: 0.18 percent Total sludge adsorption: 55.64 percent Total to Air: 43.73 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.89 18.2 1000 Water 9.51 900 1000 Soil 37.6 1.8e+003 1000 Sediment 51 8.1e+003 0 Persistence Time: 784 hr
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