3,7,7-Trimethyl-11-methylenespiro[5.5]undec-2-ene
CC1=CCC2(CC1)C(=C)CCCC2(C)C
InChI=1S/C15H24/c1-12-7-10-15(11-8-12)13(2)6-5-9-14(15,3)4/h7H,2,5-6,8-11H2,1,3-4H3
WLNGPDPILFYWKF-UHFFFAOYSA-N
CSID:27047, http://www.chemspider.com/Chemical-Structure.27047.html (accessed 04:19, Apr 19, 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) = 7.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 252.70 (Adapted Stein & Brown method) Melting Pt (deg C): 48.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0229 (Modified Grain method) Subcooled liquid VP: 0.0378 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): 0.01216 log Kow used: 7.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.76453 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.90E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.064E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.02 (KowWin est) Log Kaw used: 1.450 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.570 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2824 Biowin2 (Non-Linear Model) : 0.0342 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3233 (weeks-months) Biowin4 (Primary Survey Model) : 3.2460 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3776 Biowin6 (MITI Non-Linear Model): 0.2664 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0117 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.6425 BioHC Half-Life (days) : 439.0711 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.04 Pa (0.0378 mm Hg) Log Koa (Koawin est ): 5.570 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.95E-007 Octanol/air (Koa) model: 9.12E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.15E-005 Mackay model : 4.76E-005 Octanol/air (Koa) model: 7.3E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 146.4562 E-12 cm3/molecule-sec Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.876 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 44.137501 E-17 cm3/molecule-sec Half-Life = 0.026 Days (at 7E11 mol/cm3) Half-Life = 37.389 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 3.46E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.159E+004 Log Koc: 4.334 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 = 4.780 (BCF = 6.026e+004) log Kow used: 7.02 (estimated) Volatilization from Water: Henry LC: 0.69 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.46 hours Half-Life from Model Lake : 135.8 hours (5.658 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.23 percent Total biodegradation: 0.45 percent Total sludge adsorption: 74.78 percent Total to Air: 22.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.00873 0.46 1000 Water 2.15 900 1000 Soil 28.6 1.8e+003 1000 Sediment 69.3 8.1e+003 0 Persistence Time: 2.83e+003 hr
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