Try beta.chemspider
1-(10,10-Dimethyl-9,10-dihydro-9-anthracenyl)methanamine
CC1(C2=CC=CC=C2C(C3=CC=CC=C31)CN)C
InChI=1S/C17H19N/c1-17(2)15-9-5-3-7-12(15)14(11-18)13-8-4-6-10-16(13)17/h3-10,14H,11,18H2,1-2H3
LEVMGIZUIGSQFX-UHFFFAOYSA-N
CSID:9185178, http://www.chemspider.com/Chemical-Structure.9185178.html (accessed 15:52, Jun 16, 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) = 3.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.85 (Adapted Stein & Brown method) Melting Pt (deg C): 121.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.4E-005 (Modified Grain method) Subcooled liquid VP: 0.000126 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): 21.42 log Kow used: 3.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.8711 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]: 2.041E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.53 (KowWin est) Log Kaw used: -5.719 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.249 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6591 Biowin2 (Non-Linear Model) : 0.4018 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4121 (weeks-months) Biowin4 (Primary Survey Model) : 3.3266 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2132 Biowin6 (MITI Non-Linear Model): 0.0745 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2988 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): 0.0168 Pa (0.000126 mm Hg) Log Koa (Koawin est ): 9.249 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000179 Octanol/air (Koa) model: 0.000436 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00641 Mackay model : 0.0141 Octanol/air (Koa) model: 0.0337 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 45.5039 E-12 cm3/molecule-sec Half-Life = 0.235 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.821 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0102 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.269E+005 Log Koc: 5.103 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 = 2.014 (BCF = 103.4) log Kow used: 3.53 (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: 13.73 percent Total biodegradation: 0.19 percent Total sludge adsorption: 13.54 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 0.138 5.64 1000 Water 15.4 900 1000 Soil 83.3 1.8e+003 1000 Sediment 1.2 8.1e+003 0 Persistence Time: 1.29e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight