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N,N-Dimethyl-2-(1-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyran-1-yl)ethanamine
CC1(C2=C(CCO1)c3ccccc3C2)CCN(C)C
InChI=1S/C17H23NO/c1-17(9-10-18(2)3)16-12-13-6-4-5-7-14(13)15(16)8-11-19-17/h4-7H,8-12H2,1-3H3
AMJPIGOYWBNJLP-UHFFFAOYSA-N
CSID:381558, http://www.chemspider.com/Chemical-Structure.381558.html (accessed 12:28, Apr 24, 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) = 3.69 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 341.84 (Adapted Stein & Brown method) Melting Pt (deg C): 112.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.83E-005 (Modified Grain method) Subcooled liquid VP: 0.000206 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): 153.5 log Kow used: 3.69 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 137.54 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.33E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.244E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.69 (KowWin est) Log Kaw used: -6.021 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.711 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0569 Biowin2 (Non-Linear Model) : 0.0006 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0800 (months ) Biowin4 (Primary Survey Model) : 2.9567 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0474 Biowin6 (MITI Non-Linear Model): 0.0240 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7605 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): 0.0275 Pa (0.000206 mm Hg) Log Koa (Koawin est ): 9.711 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000109 Octanol/air (Koa) model: 0.00126 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00393 Mackay model : 0.00866 Octanol/air (Koa) model: 0.0917 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 209.1402 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.614 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 88.724998 E-17 cm3/molecule-sec Half-Life = 0.013 Days (at 7E11 mol/cm3) Half-Life = 18.599 Min Fraction sorbed to airborne particulates (phi): 0.0063 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6686 Log Koc: 3.825 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 = 2.145 (BCF = 139.5) log Kow used: 3.69 (estimated) Volatilization from Water: Henry LC: 2.33E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.031E+004 hours (1680 days) Half-Life from Model Lake : 4.399E+005 hours (1.833E+004 days) Removal In Wastewater Treatment: Total removal: 18.13 percent Total biodegradation: 0.22 percent Total sludge adsorption: 17.90 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 0.00689 0.248 1000 Water 13.8 1.44e+003 1000 Soil 84.3 2.88e+003 1000 Sediment 1.92 1.3e+004 0 Persistence Time: 1.66e+003 hr
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