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- Double-bond stereo
(1E)-3,3-Dimethyl-1-(4-methylphenyl)-1-triazene
Cc1ccc(cc1)/N=N/N(C)C
InChI=1S/C9H13N3/c1-8-4-6-9(7-5-8)10-11-12(2)3/h4-7H,1-3H3/b11-10+
PSNZDNVJMNLFKA-ZHACJKMWSA-N
CSID:73647, http://www.chemspider.com/Chemical-Structure.73647.html (accessed 00:08, May 10, 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) = 2.95 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 239.80 (Adapted Stein & Brown method) Melting Pt (deg C): 7.90 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0468 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 200.2 log Kow used: 2.95 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5943.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.92E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.020E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.95 (KowWin est) Log Kaw used: -4.616 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.566 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7245 Biowin2 (Non-Linear Model) : 0.7804 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7636 (weeks ) Biowin4 (Primary Survey Model) : 3.5437 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3017 Biowin6 (MITI Non-Linear Model): 0.2043 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0766 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): 5.97 Pa (0.0448 mm Hg) Log Koa (Koawin est ): 7.566 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.02E-007 Octanol/air (Koa) model: 9.04E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.81E-005 Mackay model : 4.02E-005 Octanol/air (Koa) model: 0.000722 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.6828 E-12 cm3/molecule-sec Half-Life = 2.284 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 27.409 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.92E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 233.5 Log Koc: 2.368 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 = 1.000 (BCF = 10) log Kow used: 2.95 (estimated) Volatilization from Water: Henry LC: 5.92E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1265 hours (52.7 days) Half-Life from Model Lake : 1.391E+004 hours (579.4 days) Removal In Wastewater Treatment: Total removal: 5.32 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.17 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.34 54.8 1000 Water 23.3 360 1000 Soil 74 720 1000 Sediment 0.355 3.24e+003 0 Persistence Time: 520 hr
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