Try beta.chemspider
4-(1-Phenylcyclohexyl)morpholine
c1ccc(cc1)C2(CCCCC2)N3CCOCC3
InChI=1S/C16H23NO/c1-3-7-15(8-4-1)16(9-5-2-6-10-16)17-11-13-18-14-12-17/h1,3-4,7-8H,2,5-6,9-14H2
CHMXTQJRXRJHDG-UHFFFAOYSA-N
CSID:108450, http://www.chemspider.com/Chemical-Structure.108450.html (accessed 15:25, Apr 24, 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) = 3.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 338.20 (Adapted Stein & Brown method) Melting Pt (deg C): 104.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.23E-005 (Modified Grain method) Subcooled liquid VP: 0.000251 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): 530.4 log Kow used: 3.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1270 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.67E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.575E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.14 (KowWin est) Log Kaw used: -5.824 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.964 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0223 Biowin2 (Non-Linear Model) : 0.0023 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2034 (months ) Biowin4 (Primary Survey Model) : 3.0474 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1851 Biowin6 (MITI Non-Linear Model): 0.0850 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.1693 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): 0.0335 Pa (0.000251 mm Hg) Log Koa (Koawin est ): 8.964 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.96E-005 Octanol/air (Koa) model: 0.000226 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00323 Mackay model : 0.00712 Octanol/air (Koa) model: 0.0178 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 152.1800 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.843 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00517 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1072 Log Koc: 3.030 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 = 1.719 (BCF = 52.36) log Kow used: 3.14 (estimated) Volatilization from Water: Henry LC: 3.67E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.499E+004 hours (1041 days) Half-Life from Model Lake : 2.728E+005 hours (1.137E+004 days) Removal In Wastewater Treatment: Total removal: 7.07 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.94 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 0.0403 1.69 1000 Water 14.4 1.44e+003 1000 Soil 85 2.88e+003 1000 Sediment 0.506 1.3e+004 0 Persistence Time: 1.7e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight