Try beta.chemspider
1-({2-[(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)methyl]-1,3-dioxolan-4-yl}methyl)piperidine
CC1(C2CCC(C2)C1CC3OCC(O3)CN4CCCCC4)C
InChI=1S/C19H33NO2/c1-19(2)15-7-6-14(10-15)17(19)11-18-21-13-16(22-18)12-20-8-4-3-5-9-20/h14-18H,3-13H2,1-2H3
IUQYLYYXKZJRJM-UHFFFAOYSA-N
CSID:2106475, http://www.chemspider.com/Chemical-Structure.2106475.html (accessed 16:21, Apr 26, 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) = 4.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 367.28 (Adapted Stein & Brown method) Melting Pt (deg C): 131.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.42E-006 (Modified Grain method) Subcooled liquid VP: 5.12E-005 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): 12.91 log Kow used: 4.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38.987 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.01E-008 atm-m3/mole Group Method: 7.05E-010 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.385E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.62 (KowWin est) Log Kaw used: -5.689 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.309 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4827 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0354 (months ) Biowin4 (Primary Survey Model) : 2.9432 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1225 Biowin6 (MITI Non-Linear Model): 0.0097 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.0775 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): 0.00683 Pa (5.12E-005 mm Hg) Log Koa (Koawin est ): 10.309 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000439 Octanol/air (Koa) model: 0.005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0156 Mackay model : 0.034 Octanol/air (Koa) model: 0.286 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 133.2269 E-12 cm3/molecule-sec Half-Life = 0.080 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.963 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0248 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2357 Log Koc: 3.372 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 = 2.855 (BCF = 715.4) log Kow used: 4.62 (estimated) Volatilization from Water: Henry LC: 5.01E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.049E+004 hours (853.9 days) Half-Life from Model Lake : 2.237E+005 hours (9321 days) Removal In Wastewater Treatment: Total removal: 62.16 percent Total biodegradation: 0.57 percent Total sludge adsorption: 61.59 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 0.0391 1.93 1000 Water 10.6 1.44e+003 1000 Soil 75.6 2.88e+003 1000 Sediment 13.8 1.3e+004 0 Persistence Time: 2.03e+003 hr
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