Try beta.chemspider
1,1,3,3,5-Pentamethyl-6-(1-pyrrolidinyl)-4-indanamine
Cc1c(cc2c(c1N)C(CC2(C)C)(C)C)N3CCCC3
InChI=1S/C18H28N2/c1-12-14(20-8-6-7-9-20)10-13-15(16(12)19)18(4,5)11-17(13,2)3/h10H,6-9,11,19H2,1-5H3
CNIVMOUHLRLZOK-UHFFFAOYSA-N
CSID:2082477, http://www.chemspider.com/Chemical-Structure.2082477.html (accessed 19:55, May 15, 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): 375.69 (Adapted Stein & Brown method) Melting Pt (deg C): 150.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.71E-006 (Modified Grain method) Subcooled liquid VP: 3.22E-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): 0.1664 log Kow used: 5.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.97168 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.75E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.684E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.89 (KowWin est) Log Kaw used: -5.629 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.519 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1344 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7083 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6829 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0557 Biowin6 (MITI Non-Linear Model): 0.0072 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.5706 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): 0.00429 Pa (3.22E-005 mm Hg) Log Koa (Koawin est ): 11.519 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000699 Octanol/air (Koa) model: 0.0811 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0246 Mackay model : 0.0529 Octanol/air (Koa) model: 0.866 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 217.1937 E-12 cm3/molecule-sec Half-Life = 0.049 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.591 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0388 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.24E+004 Log Koc: 4.510 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 = 3.832 (BCF = 6798) log Kow used: 5.89 (estimated) Volatilization from Water: Henry LC: 5.75E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.681E+004 hours (700.3 days) Half-Life from Model Lake : 1.835E+005 hours (7646 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 0.00596 1.18 1000 Water 1.76 4.32e+003 1000 Soil 50.5 8.64e+003 1000 Sediment 47.8 3.89e+004 0 Persistence Time: 8.73e+003 hr
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