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1-{(E)-[(2-Methylphenyl)imino]methyl}-1,2,3,4,5-cyclopentanepentayl
Cc1ccccc1N=C[C]2[CH][CH][CH][CH]2
InChI=1S/C13H12N/c1-11-6-2-5-9-13(11)14-10-12-7-3-4-8-12/h2-10H,1H3
XQQRMEIXJIISSF-UHFFFAOYSA-N
CSID:9612972, http://www.chemspider.com/Chemical-Structure.9612972.html (accessed 18:11, May 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 277.92 (Adapted Stein & Brown method) Melting Pt (deg C): 29.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0057 (Modified Grain method) Subcooled liquid VP: 0.00625 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): 10.57 log Kow used: 4.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 46.946 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.45E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.329E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.31 (KowWin est) Log Kaw used: -0.999 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.309 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7131 Biowin2 (Non-Linear Model) : 0.7163 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7104 (weeks-months) Biowin4 (Primary Survey Model) : 3.5090 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2700 Biowin6 (MITI Non-Linear Model): 0.2016 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5239 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): 0.833 Pa (0.00625 mm Hg) Log Koa (Koawin est ): 5.309 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.6E-006 Octanol/air (Koa) model: 5E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00013 Mackay model : 0.000288 Octanol/air (Koa) model: 4E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.0340 E-12 cm3/molecule-sec Half-Life = 0.762 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.146 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000209 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.867E+004 Log Koc: 4.271 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 = 2.619 (BCF = 416) log Kow used: 4.31 (estimated) Volatilization from Water: Henry LC: 0.00245 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.724 hours Half-Life from Model Lake : 133.6 hours (5.565 days) Removal In Wastewater Treatment: Total removal: 67.67 percent Total biodegradation: 0.30 percent Total sludge adsorption: 37.81 percent Total to Air: 29.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 18.3 1000 Water 9.17 900 1000 Soil 85.1 1.8e+003 1000 Sediment 4.45 8.1e+003 0 Persistence Time: 899 hr
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