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3-(3,3-Dimethyl-1-phenyl-2,3-dihydro-1H-inden-1-yl)-N-methyl-1-propanamine
CC1(CC(c2c1cccc2)(CCCNC)c3ccccc3)C
InChI=1S/C21H27N/c1-20(2)16-21(14-9-15-22-3,17-10-5-4-6-11-17)19-13-8-7-12-18(19)20/h4-8,10-13,22H,9,14-16H2,1-3H3
WIHSDUPAYPXRSA-UHFFFAOYSA-N
CSID:102466, http://www.chemspider.com/Chemical-Structure.102466.html (accessed 01:54, 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) = 5.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.14 (Adapted Stein & Brown method) Melting Pt (deg C): 140.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.44E-006 (Modified Grain method) Subcooled liquid VP: 2.13E-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): 1.283 log Kow used: 5.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.14106 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.89E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.334E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.89 (KowWin est) Log Kaw used: -4.928 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.818 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5219 Biowin2 (Non-Linear Model) : 0.1550 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1729 (months ) Biowin4 (Primary Survey Model) : 3.1656 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2508 Biowin6 (MITI Non-Linear Model): 0.0591 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5765 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): 0.00284 Pa (2.13E-005 mm Hg) Log Koa (Koawin est ): 10.818 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00106 Octanol/air (Koa) model: 0.0161 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0368 Mackay model : 0.0779 Octanol/air (Koa) model: 0.564 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 88.4631 E-12 cm3/molecule-sec Half-Life = 0.121 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.451 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0573 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.026E+006 Log Koc: 6.011 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 = 3.833 (BCF = 6802) log Kow used: 5.89 (estimated) Volatilization from Water: Henry LC: 2.89E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3472 hours (144.7 days) Half-Life from Model Lake : 3.802E+004 hours (1584 days) Removal In Wastewater Treatment: Total removal: 91.62 percent Total biodegradation: 0.77 percent Total sludge adsorption: 90.86 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 0.0354 2.9 1000 Water 3.4 1.44e+003 1000 Soil 39.5 2.88e+003 1000 Sediment 57.1 1.3e+004 0 Persistence Time: 3.63e+003 hr
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