Tetraazidomethane
C(N=[N+]=[N-])(N=[N+]=[N-])(N=[N+]=[N-])N=[N+]=[N-]
InChI=1S/CN12/c2-10-6-1(7-11-3,8-12-4)9-13-5
PGNZIEKVQCKOBT-UHFFFAOYSA-N
CSID:17219283, http://www.chemspider.com/Chemical-Structure.17219283.html (accessed 18:10, Mar 28, 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) = -24.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 958.91 (Adapted Stein & Brown method) Melting Pt (deg C): 349.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.46E-024 (Modified Grain method) Subcooled liquid VP: 1.26E-020 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: -24.18 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2524.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.82E-017 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.960E-031 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -24.18 (KowWin est) Log Kaw used: -14.938 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -9.242 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4760 Biowin2 (Non-Linear Model) : 0.2093 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5802 (weeks-months) Biowin4 (Primary Survey Model) : 3.4287 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2227 Biowin6 (MITI Non-Linear Model): 0.1057 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0642 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): 1.68E-018 Pa (1.26E-020 mm Hg) Log Koa (Koawin est ): -9.242 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.79E+012 Octanol/air (Koa) model: 1.41E-022 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1.12E-020 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation 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 : 10 Log Koc: 1.000 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: -24.18 (estimated) Volatilization from Water: Henry LC: 2.82E-017 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.817E+013 hours (1.174E+012 days) Half-Life from Model Lake : 3.073E+014 hours (1.281E+013 days) Removal In Wastewater Treatment: Insufficient Data Available to Estimate Wastewater Treatment Plant. Level III Fugacity Model: Insufficient Data Available to Estimate Level III Fugacity Model.
Click to predict properties on the Chemicalize site
Advertisement
Spotlight