N-Butylcyclohexanamine
CCCCNC1CCCCC1
InChI=1S/C10H21N/c1-2-3-9-11-10-7-5-4-6-8-10/h10-11H,2-9H2,1H3
VXXLEXCQCSPKFI-UHFFFAOYSA-N
CSID:23320, http://www.chemspider.com/Chemical-Structure.23320.html (accessed 08:37, Mar 29, 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) = 3.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 211.85 (Adapted Stein & Brown method) Melting Pt (deg C): -0.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.199 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 654.1 log Kow used: 3.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2890.9 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.08E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.216E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.57 (KowWin est) Log Kaw used: -2.538 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.108 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9359 Biowin2 (Non-Linear Model) : 0.9772 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1788 (weeks ) Biowin4 (Primary Survey Model) : 3.9360 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5432 Biowin6 (MITI Non-Linear Model): 0.5298 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1334 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): 24.4 Pa (0.183 mm Hg) Log Koa (Koawin est ): 6.108 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.23E-007 Octanol/air (Koa) model: 3.15E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.44E-006 Mackay model : 9.84E-006 Octanol/air (Koa) model: 2.52E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 110.7742 E-12 cm3/molecule-sec Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.159 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.14E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 367.7 Log Koc: 2.566 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 = 2.049 (BCF = 112) log Kow used: 3.57 (estimated) Volatilization from Water: Henry LC: 7.08E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.58 hours Half-Life from Model Lake : 230.8 hours (9.616 days) Removal In Wastewater Treatment: Total removal: 17.57 percent Total biodegradation: 0.19 percent Total sludge adsorption: 14.29 percent Total to Air: 3.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.285 2.32 1000 Water 21.7 360 1000 Soil 76.9 720 1000 Sediment 1.11 3.24e+003 0 Persistence Time: 443 hr
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