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N-Cyclopentylcyclopentanamine
C1CCC(C1)NC2CCCC2
InChI=1S/C10H19N/c1-2-6-9(5-1)11-10-7-3-4-8-10/h9-11H,1-8H2
FUUUBHCENZGYJA-UHFFFAOYSA-N
CSID:216813, http://www.chemspider.com/Chemical-Structure.216813.html (accessed 15:39, Jun 16, 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) = 3.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 216.88 (Adapted Stein & Brown method) Melting Pt (deg C): 8.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.154 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 962.4 log Kow used: 3.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7356.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.12E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.227E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.38 (KowWin est) Log Kaw used: -2.894 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.274 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8284 Biowin2 (Non-Linear Model) : 0.8746 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8849 (weeks ) Biowin4 (Primary Survey Model) : 3.6699 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4722 Biowin6 (MITI Non-Linear Model): 0.3658 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1322 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): 19.1 Pa (0.143 mm Hg) Log Koa (Koawin est ): 6.274 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.57E-007 Octanol/air (Koa) model: 4.61E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.68E-006 Mackay model : 1.26E-005 Octanol/air (Koa) model: 3.69E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.1734 E-12 cm3/molecule-sec Half-Life = 0.102 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.220 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.14E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 75.35 Log Koc: 1.877 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 = 1.906 (BCF = 80.54) log Kow used: 3.38 (estimated) Volatilization from Water: Henry LC: 3.12E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 24.5 hours (1.021 days) Half-Life from Model Lake : 371 hours (15.46 days) Removal In Wastewater Treatment: Total removal: 12.01 percent Total biodegradation: 0.16 percent Total sludge adsorption: 10.33 percent Total to Air: 1.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.276 2.44 1000 Water 23.3 360 1000 Soil 75.6 720 1000 Sediment 0.813 3.24e+003 0 Persistence Time: 450 hr
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