Try beta.chemspider
Tetrahydro-2H-pyran-4-carboxamide
C1COCCC1C(=O)N
InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)
DGOYLVBDCVINQZ-UHFFFAOYSA-N
CSID:10740443, http://www.chemspider.com/Chemical-Structure.10740443.html (accessed 05:22, May 8, 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) = -0.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 282.16 (Adapted Stein & Brown method) Melting Pt (deg C): 76.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00162 (Modified Grain method) Subcooled liquid VP: 0.005 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): 3.263e+005 log Kow used: -0.64 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.70E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.437E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.64 (KowWin est) Log Kaw used: -9.158 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.518 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5488 Biowin2 (Non-Linear Model) : 0.6074 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8509 (weeks ) Biowin4 (Primary Survey Model) : 3.8571 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5473 Biowin6 (MITI Non-Linear Model): 0.5968 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4296 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): 0.667 Pa (0.005 mm Hg) Log Koa (Koawin est ): 8.518 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.5E-006 Octanol/air (Koa) model: 8.09E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000163 Mackay model : 0.00036 Octanol/air (Koa) model: 0.00643 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 43.7151 E-12 cm3/molecule-sec Half-Life = 0.245 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.936 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000261 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.868 Log Koc: 0.837 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: -0.64 (estimated) Volatilization from Water: Henry LC: 1.7E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.914E+007 hours (1.631E+006 days) Half-Life from Model Lake : 4.27E+008 hours (1.779E+007 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.0004 5.87 1000 Water 38.9 360 1000 Soil 61 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 580 hr
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