Try beta.chemspider
2-Decyloctahydro-1H-isoindole
CCCCCCCCCCN1CC2CCCCC2C1
InChI=1S/C18H35N/c1-2-3-4-5-6-7-8-11-14-19-15-17-12-9-10-13-18(17)16-19/h17-18H,2-16H2,1H3
IUGJCMRSMFVGHE-UHFFFAOYSA-N
CSID:365663, http://www.chemspider.com/Chemical-Structure.365663.html (accessed 19:46, Jun 5, 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) = 6.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 331.28 (Adapted Stein & Brown method) Melting Pt (deg C): 98.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.07E-005 (Modified Grain method) Subcooled liquid VP: 0.000365 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): 0.3811 log Kow used: 6.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.27611 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.98E-004 atm-m3/mole Group Method: 2.68E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.481E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.69 (KowWin est) Log Kaw used: -1.691 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.381 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5243 Biowin2 (Non-Linear Model) : 0.2422 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6560 (weeks-months) Biowin4 (Primary Survey Model) : 3.4458 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4259 Biowin6 (MITI Non-Linear Model): 0.2823 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.0433 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): 0.0487 Pa (0.000365 mm Hg) Log Koa (Koawin est ): 8.381 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.16E-005 Octanol/air (Koa) model: 5.9E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00222 Mackay model : 0.00491 Octanol/air (Koa) model: 0.0047 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 111.8401 E-12 cm3/molecule-sec Half-Life = 0.096 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00356 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.77E+005 Log Koc: 5.248 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 = 2.952 (BCF = 895.8) log Kow used: 6.69 (estimated) Volatilization from Water: Henry LC: 0.000268 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 5.222 hours Half-Life from Model Lake : 193.6 hours (8.066 days) Removal In Wastewater Treatment: Total removal: 93.65 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.83 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0405 2.3 1000 Water 2.36 900 1000 Soil 31 1.8e+003 1000 Sediment 66.6 8.1e+003 0 Persistence Time: 2.79e+003 hr
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