Try beta.chemspider
- Double-bond stereo
(2E)-2-(Hydroxyimino)-N-[2-(1-piperidinyl)ethyl]acetamide
C1CCN(CC1)CCNC(=O)/C=N/O
InChI=1S/C9H17N3O2/c13-9(8-11-14)10-4-7-12-5-2-1-3-6-12/h8,14H,1-7H2,(H,10,13)/b11-8+
IMOHZKRUHQOEHN-DHZHZOJOSA-N
CSID:5260998, http://www.chemspider.com/Chemical-Structure.5260998.html (accessed 22:09, May 17, 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) = 0.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 393.88 (Adapted Stein & Brown method) Melting Pt (deg C): 147.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.58E-008 (Modified Grain method) Subcooled liquid VP: 2.8E-007 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): 7057 log Kow used: 0.93 (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 : 2.00E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.870E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.93 (KowWin est) Log Kaw used: -12.087 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.017 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6576 Biowin2 (Non-Linear Model) : 0.6565 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4498 (weeks-months) Biowin4 (Primary Survey Model) : 3.4777 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3079 Biowin6 (MITI Non-Linear Model): 0.2247 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.5206 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): 3.73E-005 Pa (2.8E-007 mm Hg) Log Koa (Koawin est ): 13.017 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0804 Octanol/air (Koa) model: 2.55 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.744 Mackay model : 0.865 Octanol/air (Koa) model: 0.995 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 113.9564 E-12 cm3/molecule-sec Half-Life = 0.094 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.126 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.805 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 880.7 Log Koc: 2.945 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: 0.93 (estimated) Volatilization from Water: Henry LC: 2E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.132E+010 hours (1.722E+009 days) Half-Life from Model Lake : 4.508E+011 hours (1.878E+010 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 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 1.17e-006 2.25 1000 Water 41.4 900 1000 Soil 58.5 1.8e+003 1000 Sediment 0.0862 8.1e+003 0 Persistence Time: 1.04e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight