Try beta.chemspider
N-Pentyl-6-undecanimine
CCCCCC(=NCCCCC)CCCCC
InChI=1S/C16H33N/c1-4-7-10-13-16(14-11-8-5-2)17-15-12-9-6-3/h4-15H2,1-3H3
GXJRBBHPCYTQKV-UHFFFAOYSA-N
CSID:468393, http://www.chemspider.com/Chemical-Structure.468393.html (accessed 02:12, Jun 2, 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) = 8.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 295.28 (Adapted Stein & Brown method) Melting Pt (deg C): 19.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00251 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.0009376 log Kow used: 8.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0014749 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Schiff Bases Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.56E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.434E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.74 (KowWin est) Log Kaw used: 1.020 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.720 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9588 Biowin2 (Non-Linear Model) : 0.9942 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.5650 (days-weeks ) Biowin4 (Primary Survey Model) : 4.3095 (hours-days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5940 Biowin6 (MITI Non-Linear Model): 0.6954 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0439 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): 0.335 Pa (0.00251 mm Hg) Log Koa (Koawin est ): 7.720 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.96E-006 Octanol/air (Koa) model: 1.29E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000324 Mackay model : 0.000717 Octanol/air (Koa) model: 0.00103 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.4015 E-12 cm3/molecule-sec Half-Life = 0.652 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.826 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00052 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.151E+005 Log Koc: 5.061 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 = 0.933 (BCF = 8.561) log Kow used: 8.74 (estimated) Volatilization from Water: Henry LC: 0.256 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.583 hours Half-Life from Model Lake : 147 hours (6.126 days) Removal In Wastewater Treatment: Total removal: 94.08 percent Total biodegradation: 0.77 percent Total sludge adsorption: 92.97 percent Total to Air: 0.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.911 15.7 1000 Water 5.67 208 1000 Soil 29.7 416 1000 Sediment 63.7 1.87e+003 0 Persistence Time: 674 hr
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