Try beta.chemspider
1-Methylguanidine
CNC(=N)N
InChI=1S/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
CHJJGSNFBQVOTG-UHFFFAOYSA-N
CSID:9707, http://www.chemspider.com/Chemical-Structure.9707.html (accessed 13:25, May 25, 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) = -1.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 130.88 (Adapted Stein & Brown method) Melting Pt (deg C): -24.04 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.62 (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: -1.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.13E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.253E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.08 (KowWin est) Log Kaw used: -8.678 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.598 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7127 Biowin2 (Non-Linear Model) : 0.8777 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0376 (weeks ) Biowin4 (Primary Survey Model) : 3.7423 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4951 Biowin6 (MITI Non-Linear Model): 0.6070 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 1.19E+003 Pa (8.9 mm Hg) Log Koa (Koawin est ): 7.598 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.53E-009 Octanol/air (Koa) model: 9.73E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.13E-008 Mackay model : 2.02E-007 Octanol/air (Koa) model: 0.000778 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.1360 E-12 cm3/molecule-sec Half-Life = 0.254 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.046 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.47E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 38.21 Log Koc: 1.582 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: -1.08 (estimated) Volatilization from Water: Henry LC: 5.13E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.758E+006 hours (4.066E+005 days) Half-Life from Model Lake : 1.064E+008 hours (4.435E+006 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 0.00121 6.09 1000 Water 39 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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