(1Z)-2-Methylpropanimidamide
[H]/N=C(/C(C)C)\N
InChI=1S/C4H10N2/c1-3(2)4(5)6/h3H,1-2H3,(H3,5,6)
NDAJNMAAXXIADY-UHFFFAOYSA-N
CSID:367513, http://www.chemspider.com/Chemical-Structure.367513.html (accessed 02:55, 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.61 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 143.87 (Adapted Stein & Brown method) Melting Pt (deg C): -15.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.32 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.61 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 84590 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.32E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.030E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.61 (KowWin est) Log Kaw used: -4.663 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.053 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7065 Biowin2 (Non-Linear Model) : 0.8564 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0088 (weeks ) Biowin4 (Primary Survey Model) : 3.7235 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4060 Biowin6 (MITI Non-Linear Model): 0.4945 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5111 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): 651 Pa (4.88 mm Hg) Log Koa (Koawin est ): 3.053 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.61E-009 Octanol/air (Koa) model: 2.77E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.67E-007 Mackay model : 3.69E-007 Octanol/air (Koa) model: 2.22E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 23.7208 E-12 cm3/molecule-sec Half-Life = 0.451 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.411 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.68E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.27 Log Koc: 1.905 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: -1.61 (estimated) Volatilization from Water: Henry LC: 5.32E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1022 hours (42.6 days) Half-Life from Model Lake : 1.123E+004 hours (468 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.29 10.8 1000 Water 47.3 360 1000 Soil 51.4 720 1000 Sediment 0.0864 3.24e+003 0 Persistence Time: 353 hr
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