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N-Heptylbicyclo[2.2.1]heptane-2-carboxamide
CCCCCCCNC(=O)C1CC2CCC1C2
InChI=1S/C15H27NO/c1-2-3-4-5-6-9-16-15(17)14-11-12-7-8-13(14)10-12/h12-14H,2-11H2,1H3,(H,16,17)
WPWKRTTVSJZWBF-UHFFFAOYSA-N
CSID:520140, http://www.chemspider.com/Chemical-Structure.520140.html (accessed 01:47, Jul 4, 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) = 4.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 374.28 (Adapted Stein & Brown method) Melting Pt (deg C): 135.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.69E-006 (Modified Grain method) Subcooled liquid VP: 3.48E-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): 4.759 log Kow used: 4.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11.627 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.43E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.766E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.41 (KowWin est) Log Kaw used: -5.233 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.643 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9531 Biowin2 (Non-Linear Model) : 0.9848 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9187 (weeks ) Biowin4 (Primary Survey Model) : 3.9797 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5457 Biowin6 (MITI Non-Linear Model): 0.4286 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3349 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): 0.00464 Pa (3.48E-005 mm Hg) Log Koa (Koawin est ): 9.643 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000647 Octanol/air (Koa) model: 0.00108 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0228 Mackay model : 0.0492 Octanol/air (Koa) model: 0.0795 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.0094 E-12 cm3/molecule-sec Half-Life = 0.356 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.277 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.036 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.277E+004 Log Koc: 4.106 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 = 2.695 (BCF = 495.9) log Kow used: 4.41 (estimated) Volatilization from Water: Henry LC: 1.43E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6310 hours (262.9 days) Half-Life from Model Lake : 6.896E+004 hours (2873 days) Removal In Wastewater Treatment: Total removal: 51.22 percent Total biodegradation: 0.49 percent Total sludge adsorption: 50.73 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 0.55 8.55 1000 Water 20.6 360 1000 Soil 72.4 720 1000 Sediment 6.46 3.24e+003 0 Persistence Time: 551 hr
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