[(E)-Iminomethyl]selanyl
C(=N)[Se]
InChI=1S/CH2NSe/c2-1-3/h1-2H
MZUQHFMJKDBCNA-UHFFFAOYSA-N
CSID:9438489, http://www.chemspider.com/Chemical-Structure.9438489.html (accessed 03:27, Apr 18, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 123.83 (Adapted Stein & Brown method) Melting Pt (deg C): -9.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 13.2 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.399e+004 log Kow used: 0.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 56771 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.06E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.519E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.60 (KowWin est) Log Kaw used: -2.363 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.963 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6961 Biowin2 (Non-Linear Model) : 0.8138 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9605 (weeks ) Biowin4 (Primary Survey Model) : 3.6919 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3402 Biowin6 (MITI Non-Linear Model): 0.3336 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6702 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): 1.64E+003 Pa (12.3 mm Hg) Log Koa (Koawin est ): 2.963 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.83E-009 Octanol/air (Koa) model: 2.25E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.61E-008 Mackay model : 1.46E-007 Octanol/air (Koa) model: 1.8E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 80.1320 E-12 cm3/molecule-sec Half-Life = 0.133 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.602 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.06E-007 (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 = 0.500 (BCF = 3.162) log Kow used: 0.60 (estimated) Volatilization from Water: Henry LC: 0.000106 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.801 hours Half-Life from Model Lake : 161.3 hours (6.722 days) Removal In Wastewater Treatment: Total removal: 6.92 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.69 percent Total to Air: 5.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.13 3.2 1000 Water 50.5 360 1000 Soil 48.2 720 1000 Sediment 0.0959 3.24e+003 0 Persistence Time: 222 hr
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