Try beta.chemspider
3-(9,10-Dihydro-9-anthracenyl)-1-propanamine
C1C2=CC=CC=C2C(C3=CC=CC=C31)CCCN
InChI=1S/C17H19N/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12,18H2
AUTKMGMMFJXIDV-UHFFFAOYSA-N
CSID:8529610, http://www.chemspider.com/Chemical-Structure.8529610.html (accessed 07:40, 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) = 3.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 360.34 (Adapted Stein & Brown method) Melting Pt (deg C): 120.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.5E-006 (Modified Grain method) Subcooled liquid VP: 7.49E-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): 9.866 log Kow used: 3.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.8753 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.67E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.691E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.92 (KowWin est) Log Kaw used: -5.719 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.639 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8977 Biowin2 (Non-Linear Model) : 0.8702 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5494 (weeks-months) Biowin4 (Primary Survey Model) : 3.4115 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1879 Biowin6 (MITI Non-Linear Model): 0.0977 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1247 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): 0.00999 Pa (7.49E-005 mm Hg) Log Koa (Koawin est ): 9.639 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0003 Octanol/air (Koa) model: 0.00107 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0107 Mackay model : 0.0235 Octanol/air (Koa) model: 0.0788 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.4912 E-12 cm3/molecule-sec Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.593 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0171 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.7E+005 Log Koc: 5.231 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 = 2.318 (BCF = 208) log Kow used: 3.92 (estimated) Volatilization from Water: Henry LC: 4.67E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.932E+004 hours (804.9 days) Half-Life from Model Lake : 2.109E+005 hours (8786 days) Removal In Wastewater Treatment: Total removal: 26.55 percent Total biodegradation: 0.29 percent Total sludge adsorption: 26.26 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 0.129 5.19 1000 Water 14.8 900 1000 Soil 82.1 1.8e+003 1000 Sediment 2.9 8.1e+003 0 Persistence Time: 1.3e+003 hr
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