Try beta.chemspider
2,3-Bis(2-methyl-2-propen-1-yl)-1,2,3,4-tetrahydroquinoxaline
CC(=C)CC1C(Nc2ccccc2N1)CC(=C)C
InChI=1S/C16H22N2/c1-11(2)9-15-16(10-12(3)4)18-14-8-6-5-7-13(14)17-15/h5-8,15-18H,1,3,9-10H2,2,4H3
ZYPCEQMUOHQHIW-UHFFFAOYSA-N
CSID:2156618, http://www.chemspider.com/Chemical-Structure.2156618.html (accessed 11:57, Apr 29, 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) = 4.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 354.77 (Adapted Stein & Brown method) Melting Pt (deg C): 126.28 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.93E-006 (Modified Grain method) Subcooled liquid VP: 0.000102 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): 2.232 log Kow used: 4.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.189 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.419E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.76 (KowWin est) Log Kaw used: -6.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.119 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1647 Biowin2 (Non-Linear Model) : 0.0141 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3937 (weeks-months) Biowin4 (Primary Survey Model) : 3.2813 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1421 Biowin6 (MITI Non-Linear Model): 0.0034 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4236 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): 0.0136 Pa (0.000102 mm Hg) Log Koa (Koawin est ): 11.119 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000221 Octanol/air (Koa) model: 0.0323 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0079 Mackay model : 0.0173 Octanol/air (Koa) model: 0.721 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 229.8487 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.558 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.400000 E-17 cm3/molecule-sec Half-Life = 0.477 Days (at 7E11 mol/cm3) Half-Life = 11.460 Hrs Fraction sorbed to airborne particulates (phi): 0.0126 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.409E+004 Log Koc: 4.149 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 = 2.967 (BCF = 927.3) log Kow used: 4.76 (estimated) Volatilization from Water: Henry LC: 1.07E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.519E+004 hours (3549 days) Half-Life from Model Lake : 9.295E+005 hours (3.873E+004 days) Removal In Wastewater Treatment: Total removal: 68.67 percent Total biodegradation: 0.61 percent Total sludge adsorption: 68.06 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 0.0244 1.02 1000 Water 12.1 900 1000 Soil 71.6 1.8e+003 1000 Sediment 16.3 8.1e+003 0 Persistence Time: 1.48e+003 hr
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