Try beta.chemspider
3-(Cyclohexyloxy)-1-propanamine
C1CCC(CC1)OCCCN
InChI=1S/C9H19NO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8,10H2
ZRXXYJYSVHQULF-UHFFFAOYSA-N
CSID:4144211, http://www.chemspider.com/Chemical-Structure.4144211.html (accessed 07:38, May 13, 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) = 1.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 227.44 (Adapted Stein & Brown method) Melting Pt (deg C): 25.02 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0839 (Modified Grain method) Subcooled liquid VP: 0.0839 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): 1.896e+004 log Kow used: 1.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 78033 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.84E-007 atm-m3/mole Group Method: 1.99E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.156E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.85 (KowWin est) Log Kaw used: -4.935 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.785 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4791 Biowin2 (Non-Linear Model) : 0.1760 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8674 (weeks ) Biowin4 (Primary Survey Model) : 3.6544 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5384 Biowin6 (MITI Non-Linear Model): 0.4840 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2735 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): 11.2 Pa (0.0839 mm Hg) Log Koa (Koawin est ): 6.785 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.68E-007 Octanol/air (Koa) model: 1.5E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.69E-006 Mackay model : 2.15E-005 Octanol/air (Koa) model: 0.00012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.6816 E-12 cm3/molecule-sec Half-Life = 0.158 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.896 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.56E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 132.8 Log Koc: 2.123 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 = 0.723 (BCF = 5.282) log Kow used: 1.85 (estimated) Volatilization from Water: Henry LC: 1.99E-008 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.69E+004 hours (1537 days) Half-Life from Model Lake : 4.026E+005 hours (1.678E+004 days) Removal In Wastewater Treatment: Total removal: 2.13 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.03 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 0.203 3.79 1000 Water 28.8 360 1000 Soil 70.9 720 1000 Sediment 0.0876 3.24e+003 0 Persistence Time: 521 hr
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