Try beta.chemspider
Isocyanoethene
C=C[N+]#[C-]
InChI=1S/C3H3N/c1-3-4-2/h3H,1H2
FOSDKQXKZPWNNK-UHFFFAOYSA-N
CSID:558360, http://www.chemspider.com/Chemical-Structure.558360.html (accessed 15:47, May 4, 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) = 1.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -35.49 (Adapted Stein & Brown method) Melting Pt (deg C): -140.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.18E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.211e+004 log Kow used: 1.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13506 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.79E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.382E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.23 (KowWin est) Log Kaw used: -0.136 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.366 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7223 Biowin2 (Non-Linear Model) : 0.9051 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0819 (weeks ) Biowin4 (Primary Survey Model) : 3.7712 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5728 Biowin6 (MITI Non-Linear Model): 0.7464 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6155 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.08E+005 Pa (4.56E+003 mm Hg) Log Koa (Koawin est ): 1.366 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.93E-012 Octanol/air (Koa) model: 5.7E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.78E-010 Mackay model : 3.95E-010 Octanol/air (Koa) model: 4.56E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.3000 E-12 cm3/molecule-sec Half-Life = 0.407 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.880 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 2.86E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 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 = 0.248 (BCF = 1.77) log Kow used: 1.23 (estimated) Volatilization from Water: Henry LC: 0.0179 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.7671 hours (46.03 min) Half-Life from Model Lake : 69.45 hours (2.894 days) Removal In Wastewater Treatment: Total removal: 87.48 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.48 percent Total to Air: 86.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.58 5.59 1000 Water 87.3 360 1000 Soil 3.9 720 1000 Sediment 0.185 3.24e+003 0 Persistence Time: 71 hr
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