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4-Isopropenyl-4,7-dimethyl-1-oxaspiro[2.5]octane
CC1CCC(C2(C1)CO2)(C)C(=C)C
InChI=1S/C12H20O/c1-9(2)11(4)6-5-10(3)7-12(11)8-13-12/h10H,1,5-8H2,2-4H3
HFKIFHWZVYAGCQ-UHFFFAOYSA-N
CSID:473104, http://www.chemspider.com/Chemical-Structure.473104.html (accessed 22:31, Jul 6, 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) = 4.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 207.68 (Adapted Stein & Brown method) Melting Pt (deg C): 21.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.358 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.03 log Kow used: 4.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 92.455 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.93E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.467E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.38 (KowWin est) Log Kaw used: -1.489 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.869 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0535 Biowin2 (Non-Linear Model) : 0.0016 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3678 (weeks-months) Biowin4 (Primary Survey Model) : 3.2710 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4174 Biowin6 (MITI Non-Linear Model): 0.2580 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9160 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): 44.1 Pa (0.331 mm Hg) Log Koa (Koawin est ): 5.869 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.8E-008 Octanol/air (Koa) model: 1.82E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.46E-006 Mackay model : 5.44E-006 Octanol/air (Koa) model: 1.45E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 62.0514 E-12 cm3/molecule-sec Half-Life = 0.172 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.068 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 3.95E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 355 Log Koc: 2.550 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 4.905E-002 L/mol-sec Ka Half-Life at pH 7: 4.478 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.671 (BCF = 468.3) log Kow used: 4.38 (estimated) Volatilization from Water: Henry LC: 0.000793 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.362 hours Half-Life from Model Lake : 138.3 hours (5.765 days) Removal In Wastewater Treatment: Total removal: 58.78 percent Total biodegradation: 0.40 percent Total sludge adsorption: 45.39 percent Total to Air: 12.99 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.255 3.53 1000 Water 9.22 900 1000 Soil 85.3 1.8e+003 1000 Sediment 5.26 8.1e+003 0 Persistence Time: 977 hr
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