Try beta.chemspider
2-(1,4-Dioxaspiro[4.5]dec-8-yl)ethanamine
C1CC2(CCC1CCN)OCCO2
InChI=1S/C10H19NO2/c11-6-3-9-1-4-10(5-2-9)12-7-8-13-10/h9H,1-8,11H2
SSPKQTFXNGPRNV-UHFFFAOYSA-N
CSID:8233788, http://www.chemspider.com/Chemical-Structure.8233788.html (accessed 00:03, May 2, 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) = 2.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 266.81 (Adapted Stein & Brown method) Melting Pt (deg C): 65.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00469 (Modified Grain method) Subcooled liquid VP: 0.0112 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): 9073 log Kow used: 2.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 44364 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.35E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.260E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (KowWin est) Log Kaw used: -6.522 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.592 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0655 Biowin2 (Non-Linear Model) : 0.0008 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5847 (weeks-months) Biowin4 (Primary Survey Model) : 3.4508 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4944 Biowin6 (MITI Non-Linear Model): 0.3156 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4640 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): 1.49 Pa (0.0112 mm Hg) Log Koa (Koawin est ): 8.592 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.01E-006 Octanol/air (Koa) model: 9.59E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.26E-005 Mackay model : 0.000161 Octanol/air (Koa) model: 0.00762 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 56.5450 E-12 cm3/molecule-sec Half-Life = 0.189 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.270 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000117 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 22.13 Log Koc: 1.345 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 = 0.892 (BCF = 7.792) log Kow used: 2.07 (estimated) Volatilization from Water: Henry LC: 7.35E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.084E+005 hours (4518 days) Half-Life from Model Lake : 1.183E+006 hours (4.929E+004 days) Removal In Wastewater Treatment: Total removal: 2.32 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.22 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 0.0539 4.54 1000 Water 23.4 900 1000 Soil 76.4 1.8e+003 1000 Sediment 0.0985 8.1e+003 0 Persistence Time: 1.26e+003 hr
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