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N,N-Diethyl-N'-methyl-N'-(4-phenylcyclohexyl)-1,2-ethanediamine
CCN(CC)CCN(C)C1CCC(CC1)c2ccccc2
InChI=1S/C19H32N2/c1-4-21(5-2)16-15-20(3)19-13-11-18(12-14-19)17-9-7-6-8-10-17/h6-10,18-19H,4-5,11-16H2,1-3H3
MWXKPEOYDRTWIC-UHFFFAOYSA-N
CSID:649152, http://www.chemspider.com/Chemical-Structure.649152.html (accessed 14:07, Jun 16, 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) = 4.62 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.70 (Adapted Stein & Brown method) Melting Pt (deg C): 111.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.82E-006 (Modified Grain method) Subcooled liquid VP: 6.95E-005 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): 16.48 log Kow used: 4.62 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 84.417 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.22E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.262E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.62 (KowWin est) Log Kaw used: -6.595 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.215 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3824 Biowin2 (Non-Linear Model) : 0.0408 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9992 (months ) Biowin4 (Primary Survey Model) : 2.7919 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0058 Biowin6 (MITI Non-Linear Model): 0.0175 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -2.2293 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): 0.00927 Pa (6.95E-005 mm Hg) Log Koa (Koawin est ): 11.215 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000324 Octanol/air (Koa) model: 0.0403 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0116 Mackay model : 0.0252 Octanol/air (Koa) model: 0.763 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 212.8487 E-12 cm3/molecule-sec Half-Life = 0.050 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.603 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0184 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.223E+004 Log Koc: 4.626 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 = 2.859 (BCF = 722.5) log Kow used: 4.62 (estimated) Volatilization from Water: Henry LC: 6.22E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.599E+005 hours (6662 days) Half-Life from Model Lake : 1.744E+006 hours (7.268E+004 days) Removal In Wastewater Treatment: Total removal: 62.16 percent Total biodegradation: 0.57 percent Total sludge adsorption: 61.60 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 0.0143 1.21 1000 Water 9.24 1.44e+003 1000 Soil 78.7 2.88e+003 1000 Sediment 12 1.3e+004 0 Persistence Time: 2.39e+003 hr
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