Try beta.chemspider
3-(8,8-Dipropyl-2-azaspiro[4.5]dec-2-yl)-N,N-diethyl-1-propanamine
CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC
InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3
SERHTTSLBVGRBY-UHFFFAOYSA-N
CSID:114962, http://www.chemspider.com/Chemical-Structure.114962.html (accessed 08:03, Apr 23, 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) = 7.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 378.42 (Adapted Stein & Brown method) Melting Pt (deg C): 140.16 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-006 (Modified Grain method) Subcooled liquid VP: 2.76E-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): 0.05992 log Kow used: 7.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3067 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.35E-007 atm-m3/mole Group Method: 1.41E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.404E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.15 (KowWin est) Log Kaw used: -4.750 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.900 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1911 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5215 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4792 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2608 Biowin6 (MITI Non-Linear Model): 0.0777 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.9066 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): 0.00368 Pa (2.76E-005 mm Hg) Log Koa (Koawin est ): 11.900 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000815 Octanol/air (Koa) model: 0.195 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0286 Mackay model : 0.0612 Octanol/air (Koa) model: 0.94 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 198.1784 E-12 cm3/molecule-sec Half-Life = 0.054 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.648 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0449 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.121E+006 Log Koc: 6.049 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 = 3.109 (BCF = 1287) log Kow used: 7.15 (estimated) Volatilization from Water: Henry LC: 1.41E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 7620 hours (317.5 days) Half-Life from Model Lake : 8.328E+004 hours (3470 days) Removal In Wastewater Treatment: Total removal: 93.90 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.12 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 0.00558 1.3 1000 Water 0.813 4.32e+003 1000 Soil 40.4 8.64e+003 1000 Sediment 58.8 3.89e+004 0 Persistence Time: 1.06e+004 hr
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