Try beta.chemspider
2-Isopropyltetrahydro-2H-pyran
CC(C)C1CCCCO1
InChI=1S/C8H16O/c1-7(2)8-5-3-4-6-9-8/h7-8H,3-6H2,1-2H3
OKQVEVGJFAGELI-UHFFFAOYSA-N
CSID:10586538, http://www.chemspider.com/Chemical-Structure.10586538.html (accessed 07:35, May 9, 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) = 2.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 145.19 (Adapted Stein & Brown method) Melting Pt (deg C): -51.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.35 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 415.4 log Kow used: 2.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4062.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.62E-004 atm-m3/mole Group Method: 8.29E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.579E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.75 (KowWin est) Log Kaw used: -1.970 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.720 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3391 Biowin2 (Non-Linear Model) : 0.0961 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9072 (weeks ) Biowin4 (Primary Survey Model) : 3.6530 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3737 Biowin6 (MITI Non-Linear Model): 0.3712 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1868 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): 779 Pa (5.84 mm Hg) Log Koa (Koawin est ): 4.720 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.85E-009 Octanol/air (Koa) model: 1.29E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.39E-007 Mackay model : 3.08E-007 Octanol/air (Koa) model: 1.03E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.4792 E-12 cm3/molecule-sec Half-Life = 0.310 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.723 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.24E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 44.47 Log Koc: 1.648 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 = 1.421 (BCF = 26.35) log Kow used: 2.75 (estimated) Volatilization from Water: Henry LC: 0.000262 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.686 hours Half-Life from Model Lake : 135.2 hours (5.632 days) Removal In Wastewater Treatment: Total removal: 14.48 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.67 percent Total to Air: 10.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.3 7.44 1000 Water 22.4 360 1000 Soil 76.1 720 1000 Sediment 0.238 3.24e+003 0 Persistence Time: 366 hr
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