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N,4-Dimethyl-1-phenyl-1-pentanamine
CC(C)CCC(c1ccccc1)NC
InChI=1S/C13H21N/c1-11(2)9-10-13(14-3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
LZKWDXWGOKBCQI-UHFFFAOYSA-N
CSID:12267263, http://www.chemspider.com/Chemical-Structure.12267263.html (accessed 15:09, Apr 26, 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) = 3.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 259.17 (Adapted Stein & Brown method) Melting Pt (deg C): 24.93 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0166 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 257.3 log Kow used: 3.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 225.17 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.54E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.624E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.84 (KowWin est) Log Kaw used: -3.645 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.485 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9384 Biowin2 (Non-Linear Model) : 0.9609 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8228 (weeks ) Biowin4 (Primary Survey Model) : 3.6199 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2570 Biowin6 (MITI Non-Linear Model): 0.1678 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4349 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): 2.21 Pa (0.0166 mm Hg) Log Koa (Koawin est ): 7.485 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E-006 Octanol/air (Koa) model: 7.5E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.9E-005 Mackay model : 0.000108 Octanol/air (Koa) model: 0.0006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 96.6293 E-12 cm3/molecule-sec Half-Life = 0.111 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.328 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.87E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9056 Log Koc: 3.957 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 = 2.260 (BCF = 181.8) log Kow used: 3.84 (estimated) Volatilization from Water: Henry LC: 5.54E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 147.6 hours (6.15 days) Half-Life from Model Lake : 1726 hours (71.92 days) Removal In Wastewater Treatment: Total removal: 23.54 percent Total biodegradation: 0.27 percent Total sludge adsorption: 23.03 percent Total to Air: 0.24 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.267 2.66 1000 Water 23.9 360 1000 Soil 73.7 720 1000 Sediment 2.15 3.24e+003 0 Persistence Time: 468 hr
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