Try beta.chemspider
2-Methyl-2-(1-piperidinyl)propanal
CC(C)(C=O)N1CCCCC1
InChI=1S/C9H17NO/c1-9(2,8-11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
LHDZEESTYAQLEU-UHFFFAOYSA-N
CSID:17928492, http://www.chemspider.com/Chemical-Structure.17928492.html (accessed 05:51, Apr 27, 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) = 1.27 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 214.26 (Adapted Stein & Brown method) Melting Pt (deg C): 28.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.15 (Modified Grain method) Subcooled liquid VP: 0.163 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): 6.003e+004 log Kow used: 1.27 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.3328e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aldehydes Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.22E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.104E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.27 (KowWin est) Log Kaw used: -4.302 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.572 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5691 Biowin2 (Non-Linear Model) : 0.9827 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4115 (weeks-months) Biowin4 (Primary Survey Model) : 3.3790 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7439 Biowin6 (MITI Non-Linear Model): 0.8276 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2096 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): 21.7 Pa (0.163 mm Hg) Log Koa (Koawin est ): 5.572 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.38E-007 Octanol/air (Koa) model: 9.16E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.99E-006 Mackay model : 1.1E-005 Octanol/air (Koa) model: 7.33E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 113.4279 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.132 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.01E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 62.76 Log Koc: 1.798 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 = 0.280 (BCF = 1.904) log Kow used: 1.27 (estimated) Volatilization from Water: Henry LC: 1.22E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 599.2 hours (24.97 days) Half-Life from Model Lake : 6641 hours (276.7 days) Removal In Wastewater Treatment: Total removal: 1.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.83 percent Total to Air: 0.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.189 2.26 1000 Water 46 900 1000 Soil 53.7 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 617 hr
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