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4-(9(10H)-Anthracenylidene)-1-methylpiperidine
CN1CCC(=C2C3=CC=CC=C3CC4=CC=CC=C42)CC1
InChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3
ZOARGTMABFXNDY-UHFFFAOYSA-N
CSID:8644059, http://www.chemspider.com/Chemical-Structure.8644059.html (accessed 13:28, Jun 10, 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) = 4.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 389.37 (Adapted Stein & Brown method) Melting Pt (deg C): 141.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.88E-007 (Modified Grain method) Subcooled liquid VP: 1.51E-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): 1.411 log Kow used: 4.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.758 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.57E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.537E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.66 (KowWin est) Log Kaw used: -5.836 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.496 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4658 Biowin2 (Non-Linear Model) : 0.0726 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2609 (weeks-months) Biowin4 (Primary Survey Model) : 3.0939 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1026 Biowin6 (MITI Non-Linear Model): 0.0114 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.6836 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): 0.00201 Pa (1.51E-005 mm Hg) Log Koa (Koawin est ): 10.496 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00149 Octanol/air (Koa) model: 0.00769 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0511 Mackay model : 0.107 Octanol/air (Koa) model: 0.381 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 210.9747 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.608 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1064.699951 E-17 cm3/molecule-sec Half-Life = 0.001 Days (at 7E11 mol/cm3) Half-Life = 1.550 Min Fraction sorbed to airborne particulates (phi): 0.0788 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.516E+005 Log Koc: 5.742 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 = 2.888 (BCF = 772.9) log Kow used: 4.66 (estimated) Volatilization from Water: Henry LC: 3.57E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.722E+004 hours (1134 days) Half-Life from Model Lake : 2.971E+005 hours (1.238E+004 days) Removal In Wastewater Treatment: Total removal: 64.10 percent Total biodegradation: 0.58 percent Total sludge adsorption: 63.52 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 0.000983 0.0253 1000 Water 14.4 900 1000 Soil 70.2 1.8e+003 1000 Sediment 15.5 8.1e+003 0 Persistence Time: 1.23e+003 hr
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