- 2 of 2 defined stereocentres
(2R,6S)-2,6-Dimethylpiperidine
C[C@@H]1CCC[C@@H](N1)C
InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3/t6-,7+
SDGKUVSVPIIUCF-KNVOCYPGSA-N
CSID:557009, http://www.chemspider.com/Chemical-Structure.557009.html (accessed 14:37, Mar 29, 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) = 2.02 Log Kow (Exper. database match) = 1.53 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 159.60 (Adapted Stein & Brown method) Melting Pt (deg C): -8.41 (Mean or Weighted MP) VP(mm Hg,25 deg C): 11.5 (Mean VP of Antoine & Grain methods) BP (exp database): 127 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.335e+004 log Kow used: 1.53 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 55808 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.02E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.211E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.53 (exp database) Log Kaw used: -2.908 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.438 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8475 Biowin2 (Non-Linear Model) : 0.9249 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9734 (weeks ) Biowin4 (Primary Survey Model) : 3.7277 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4935 Biowin6 (MITI Non-Linear Model): 0.3688 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5731 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): 1.41E+003 Pa (10.6 mm Hg) Log Koa (Koawin est ): 4.438 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.12E-009 Octanol/air (Koa) model: 6.73E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.67E-008 Mackay model : 1.7E-007 Octanol/air (Koa) model: 5.38E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.9570 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.146 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.23E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 245 Log Koc: 2.389 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 = 0.478 (BCF = 3.007) log Kow used: 1.53 (expkow database) Volatilization from Water: Henry LC: 3.02E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 21.71 hours Half-Life from Model Lake : 326.1 hours (13.59 days) Removal In Wastewater Treatment: Total removal: 3.58 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 percent Total to Air: 1.63 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.404 2.29 1000 Water 38.6 360 1000 Soil 60.9 720 1000 Sediment 0.0931 3.24e+003 0 Persistence Time: 336 hr
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