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N,N-Dimethylcyclobutanecarboxamide
CN(C)C(=O)C1CCC1
InChI=1S/C7H13NO/c1-8(2)7(9)6-4-3-5-6/h6H,3-5H2,1-2H3
KYJXFJJPTBJREV-UHFFFAOYSA-N
CSID:257287, http://www.chemspider.com/Chemical-Structure.257287.html (accessed 14:47, Apr 30, 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) = 0.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 206.96 (Adapted Stein & Brown method) Melting Pt (deg C): 15.73 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.254 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.947e+004 log Kow used: 0.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 81620 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.56E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.183E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.80 (KowWin est) Log Kaw used: -5.643 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.443 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8971 Biowin2 (Non-Linear Model) : 0.9800 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8639 (weeks ) Biowin4 (Primary Survey Model) : 3.8697 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5328 Biowin6 (MITI Non-Linear Model): 0.5887 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2115 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): 31.2 Pa (0.234 mm Hg) Log Koa (Koawin est ): 6.443 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.62E-008 Octanol/air (Koa) model: 6.81E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.47E-006 Mackay model : 7.69E-006 Octanol/air (Koa) model: 5.45E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 19.6362 E-12 cm3/molecule-sec Half-Life = 0.545 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.536 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.58E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 63.86 Log Koc: 1.805 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: 0.80 (estimated) Volatilization from Water: Henry LC: 5.56E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.188E+004 hours (494.9 days) Half-Life from Model Lake : 1.297E+005 hours (5403 days) Removal In Wastewater Treatment: Total removal: 1.88 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 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 0.705 13.1 1000 Water 40 360 1000 Soil 59.2 720 1000 Sediment 0.0776 3.24e+003 0 Persistence Time: 458 hr
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