2,2,6-Trimethyl-6-vinyltetrahydro-2H-pyran
CC1(CCCC(O1)(C)C=C)C
InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3
NETOHYFTCONTDT-UHFFFAOYSA-N
CSID:455792, http://www.chemspider.com/Chemical-Structure.455792.html (accessed 05:13, Apr 16, 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) = 3.52 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 170.89 (Adapted Stein & Brown method) Melting Pt (deg C): -4.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.01 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 70.97 log Kow used: 3.52 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 572.2 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 : 3.44E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.748E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.52 (KowWin est) Log Kaw used: -1.852 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.372 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0411 Biowin2 (Non-Linear Model) : 0.0023 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4254 (weeks-months) Biowin4 (Primary Survey Model) : 3.3086 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4689 Biowin6 (MITI Non-Linear Model): 0.4053 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.9090 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): 244 Pa (1.83 mm Hg) Log Koa (Koawin est ): 5.372 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E-008 Octanol/air (Koa) model: 5.78E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.44E-007 Mackay model : 9.84E-007 Octanol/air (Koa) model: 4.62E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.1828 E-12 cm3/molecule-sec Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.452 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 7.14E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 101 Log Koc: 2.004 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 = 2.014 (BCF = 103.3) log Kow used: 3.52 (estimated) Volatilization from Water: Henry LC: 0.000344 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.381 hours Half-Life from Model Lake : 141 hours (5.876 days) Removal In Wastewater Treatment: Total removal: 24.57 percent Total biodegradation: 0.17 percent Total sludge adsorption: 12.48 percent Total to Air: 11.92 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.514 6.61 1000 Water 11.9 900 1000 Soil 86.6 1.8e+003 1000 Sediment 0.906 8.1e+003 0 Persistence Time: 881 hr
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