3-Diazo-1-propene
[N-]=[N+]=C/C=C
InChI=1S/C3H4N2/c1-2-3-5-4/h2-3H,1H2
AJYIGJXFGZQYHI-UHFFFAOYSA-N
CSID:9084736, http://www.chemspider.com/Chemical-Structure.9084736.html (accessed 12:07, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -4.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 336.94 (Adapted Stein & Brown method) Melting Pt (deg C): 120.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.01E-005 (Modified Grain method) Subcooled liquid VP: 0.000269 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: -4.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2828.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.11E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.736E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -4.85 (KowWin est) Log Kaw used: -7.064 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.214 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7147 Biowin2 (Non-Linear Model) : 0.8837 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0465 (weeks ) Biowin4 (Primary Survey Model) : 3.7481 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4652 Biowin6 (MITI Non-Linear Model): 0.6840 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0120 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): 0.0359 Pa (0.000269 mm Hg) Log Koa (Koawin est ): 2.214 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.36E-005 Octanol/air (Koa) model: 4.02E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00301 Mackay model : 0.00665 Octanol/air (Koa) model: 3.21E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.2400 E-12 cm3/molecule-sec Half-Life = 0.379 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.545 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.00483 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.578 Log Koc: 0.880 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: -4.85 (estimated) Volatilization from Water: Henry LC: 2.11E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.306E+005 hours (9610 days) Half-Life from Model Lake : 2.516E+006 hours (1.048E+005 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 0.0471 6.51 1000 Water 39.5 360 1000 Soil 60.4 720 1000 Sediment 0.0722 3.24e+003 0 Persistence Time: 558 hr
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