Try beta.chemspider
2,7-Diazido-9H-fluorene
c1cc-2c(cc1N=[N+]=[N-])Cc3c2ccc(c3)N=[N+]=[N-]
InChI=1S/C13H8N6/c14-18-16-10-1-3-12-8(6-10)5-9-7-11(17-19-15)2-4-13(9)12/h1-4,6-7H,5H2
ZIZYIMBTYBHYGE-UHFFFAOYSA-N
CSID:135180, http://www.chemspider.com/Chemical-Structure.135180.html (accessed 11:35, May 31, 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) = -8.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 709.31 (Adapted Stein & Brown method) Melting Pt (deg C): 310.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.91E-017 (Modified Grain method) Subcooled liquid VP: 9.4E-014 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): 1e+006 log Kow used: -8.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.93647 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.00E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.946E-023 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -8.59 (KowWin est) Log Kaw used: -12.388 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.798 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6831 Biowin2 (Non-Linear Model) : 0.5080 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5713 (weeks-months) Biowin4 (Primary Survey Model) : 3.4181 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0541 Biowin6 (MITI Non-Linear Model): 0.0159 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2303 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): 1.25E-011 Pa (9.4E-014 mm Hg) Log Koa (Koawin est ): 3.798 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.39E+005 Octanol/air (Koa) model: 1.54E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1.23E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 163.3228 E-12 cm3/molecule-sec Half-Life = 0.065 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.786 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 14.460000 E-17 cm3/molecule-sec Half-Life = 0.079 Days (at 7E11 mol/cm3) Half-Life = 1.902 Hrs Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 17.68 Log Koc: 1.248 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 = 0.500 (BCF = 3.162) log Kow used: -8.59 (estimated) Volatilization from Water: Henry LC: 1E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.262E+010 hours (3.859E+009 days) Half-Life from Model Lake : 1.01E+012 hours (4.21E+010 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 0.0639 0.861 1000 Water 53 900 1000 Soil 46.8 1.8e+003 1000 Sediment 0.102 8.1e+003 0 Persistence Time: 610 hr
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