1-Isopropyl-4-methylenebicyclo[3.1.0]hexane
CC(C)C12CCC(=C)C1C2
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
NDVASEGYNIMXJL-UHFFFAOYSA-N
CSID:17769, http://www.chemspider.com/Chemical-Structure.17769.html (accessed 04:16, 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) = 4.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 141.81 (Adapted Stein & Brown method) Melting Pt (deg C): -21.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.36 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.494 log Kow used: 4.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.6192 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.290E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.69 (KowWin est) Log Kaw used: 0.818 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.872 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4988 Biowin2 (Non-Linear Model) : 0.3432 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6860 (weeks-months) Biowin4 (Primary Survey Model) : 3.4977 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4086 Biowin6 (MITI Non-Linear Model): 0.3936 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2908 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 2.1234 BioHC Half-Life (days) : 132.8706 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 905 Pa (6.79 mm Hg) Log Koa (Koawin est ): 3.872 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.31E-009 Octanol/air (Koa) model: 1.83E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.2E-007 Mackay model : 2.65E-007 Octanol/air (Koa) model: 1.46E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.8262 E-12 cm3/molecule-sec Half-Life = 0.192 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.299 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.92E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1273 Log Koc: 3.105 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 = 2.911 (BCF = 814.3) log Kow used: 4.69 (estimated) Volatilization from Water: Henry LC: 0.161 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.195 hours Half-Life from Model Lake : 110.9 hours (4.621 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.90 percent Total biodegradation: 0.14 percent Total sludge adsorption: 40.39 percent Total to Air: 58.37 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.41 1.33 1000 Water 21.5 900 1000 Soil 53.2 1.8e+003 1000 Sediment 24.8 8.1e+003 0 Persistence Time: 359 hr
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