2,10,10-Trimethyl-6-methylene-1-oxaspiro[4.5]dec-7-ene
CC1CCC2(O1)C(=C)C=CCC2(C)C
InChI=1S/C13H20O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h5-6,11H,1,7-9H2,2-4H3
DUPDJVDPPBFBPL-UHFFFAOYSA-N
CSID:4953381, http://www.chemspider.com/Chemical-Structure.4953381.html (accessed 12:21, Mar 20, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.65 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 234.42 (Adapted Stein & Brown method) Melting Pt (deg C): 38.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0693 (Modified Grain method) Subcooled liquid VP: 0.0921 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): 5.082 log Kow used: 4.65 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 39.407 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.00E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.450E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.65 (KowWin est) Log Kaw used: -1.911 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.561 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0592 Biowin2 (Non-Linear Model) : 0.0014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3413 (weeks-months) Biowin4 (Primary Survey Model) : 3.2537 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3744 Biowin6 (MITI Non-Linear Model): 0.1704 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9430 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): 12.3 Pa (0.0921 mm Hg) Log Koa (Koawin est ): 6.561 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.44E-007 Octanol/air (Koa) model: 8.93E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.82E-006 Mackay model : 1.95E-005 Octanol/air (Koa) model: 7.15E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 156.4441 E-12 cm3/molecule-sec Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.820 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 5.265000 E-17 cm3/molecule-sec Half-Life = 0.218 Days (at 7E11 mol/cm3) Half-Life = 5.224 Hrs Fraction sorbed to airborne particulates (phi): 1.42E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 636.9 Log Koc: 2.804 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 = 2.883 (BCF = 764) log Kow used: 4.65 (estimated) Volatilization from Water: Henry LC: 0.0003 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.121 hours Half-Life from Model Lake : 161.2 hours (6.718 days) Removal In Wastewater Treatment: Total removal: 66.07 percent Total biodegradation: 0.55 percent Total sludge adsorption: 61.30 percent Total to Air: 4.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0783 1.25 1000 Water 9.68 900 1000 Soil 80 1.8e+003 1000 Sediment 10.2 8.1e+003 0 Persistence Time: 1.07e+003 hr
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