Try beta.chemspider
(4,4-Dimethyl-3H-spiro[1,3-oxazolidine-2,2'-tricyclo[3.3.1.1~3,7~]decan]-3-yl)oxidanyl
CC1(COC2(N1[O])C3CC4CC(C3)CC2C4)C
InChI=1S/C14H22NO2/c1-13(2)8-17-14(15(13)16)11-4-9-3-10(6-11)7-12(14)5-9/h9-12H,3-8H2,1-2H3
GNMNQZRTUYOPTM-UHFFFAOYSA-N
CSID:57958, http://www.chemspider.com/Chemical-Structure.57958.html (accessed 10:03, Apr 24, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.24 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.68 (Adapted Stein & Brown method) Melting Pt (deg C): 139.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.37E-008 (Modified Grain method) Subcooled liquid VP: 1.32E-006 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): 47.55 log Kow used: 3.24 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 688.77 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.64E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.154E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.24 (KowWin est) Log Kaw used: -6.566 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.806 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0807 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2418 (months ) Biowin4 (Primary Survey Model) : 3.1887 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3117 Biowin6 (MITI Non-Linear Model): 0.0633 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.8111 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): 0.000176 Pa (1.32E-006 mm Hg) Log Koa (Koawin est ): 9.806 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.017 Octanol/air (Koa) model: 0.00157 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.381 Mackay model : 0.577 Octanol/air (Koa) model: 0.112 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.6501 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.215 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.479 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 476.7 Log Koc: 2.678 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 = 1.794 (BCF = 62.27) log Kow used: 3.24 (estimated) Volatilization from Water: Henry LC: 6.64E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.358E+005 hours (5660 days) Half-Life from Model Lake : 1.482E+006 hours (6.175E+004 days) Removal In Wastewater Treatment: Total removal: 8.33 percent Total biodegradation: 0.15 percent Total sludge adsorption: 8.19 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0305 2.43 1000 Water 12.1 1.44e+003 1000 Soil 87.3 2.88e+003 1000 Sediment 0.542 1.3e+004 0 Persistence Time: 2.08e+003 hr
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