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4-Propylcyclohexanamine
CCCC1CCC(CC1)N
InChI=1S/C9H19N/c1-2-3-8-4-6-9(10)7-5-8/h8-9H,2-7,10H2,1H3
OZUBMBIDHPBIDL-UHFFFAOYSA-N
CSID:474065, http://www.chemspider.com/Chemical-Structure.474065.html (accessed 10:16, May 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) = 3.03 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 201.89 (Adapted Stein & Brown method) Melting Pt (deg C): 4.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.328 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2174 log Kow used: 3.03 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3882.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.22E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.804E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.03 (KowWin est) Log Kaw used: -2.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.911 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8341 Biowin2 (Non-Linear Model) : 0.8921 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9114 (weeks ) Biowin4 (Primary Survey Model) : 3.6872 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5282 Biowin6 (MITI Non-Linear Model): 0.4326 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5846 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): 40.1 Pa (0.301 mm Hg) Log Koa (Koawin est ): 5.911 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.48E-008 Octanol/air (Koa) model: 2E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.7E-006 Mackay model : 5.98E-006 Octanol/air (Koa) model: 1.6E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 60.2872 E-12 cm3/molecule-sec Half-Life = 0.177 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.129 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 4.34E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 233 Log Koc: 2.367 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 = 1.634 (BCF = 43.03) log Kow used: 3.03 (estimated) Volatilization from Water: Henry LC: 3.22E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 22.82 hours Half-Life from Model Lake : 348.6 hours (14.53 days) Removal In Wastewater Treatment: Total removal: 7.55 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.77 percent Total to Air: 1.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.482 4.26 1000 Water 24 360 1000 Soil 75.1 720 1000 Sediment 0.424 3.24e+003 0 Persistence Time: 443 hr
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