Try beta.chemspider
1-(Diphenylamino)-3-(methylamino)-2-propanol
CNCC(CN(c1ccccc1)c2ccccc2)O
InChI=1S/C16H20N2O/c1-17-12-16(19)13-18(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,19H,12-13H2,1H3
YENJFIYRYULCHU-UHFFFAOYSA-N
CSID:2411080, http://www.chemspider.com/Chemical-Structure.2411080.html (accessed 20:15, 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) = 2.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 382.74 (Adapted Stein & Brown method) Melting Pt (deg C): 133.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.82E-008 (Modified Grain method) Subcooled liquid VP: 5.91E-007 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): 2522 log Kow used: 2.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12965 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.13E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.446E-012 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.28 (KowWin est) Log Kaw used: -10.893 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.173 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9890 Biowin2 (Non-Linear Model) : 0.9513 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6063 (weeks-months) Biowin4 (Primary Survey Model) : 3.3724 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1898 Biowin6 (MITI Non-Linear Model): 0.0468 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6401 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): 7.88E-005 Pa (5.91E-007 mm Hg) Log Koa (Koawin est ): 13.173 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0381 Octanol/air (Koa) model: 3.66 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.579 Mackay model : 0.753 Octanol/air (Koa) model: 0.997 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 296.0454 E-12 cm3/molecule-sec Half-Life = 0.036 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.013 Min Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.666 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 802.1 Log Koc: 2.904 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 = 0.404 (BCF = 2.533) log Kow used: 2.28 (estimated) Volatilization from Water: Henry LC: 3.13E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.995E+009 hours (1.248E+008 days) Half-Life from Model Lake : 3.267E+010 hours (1.361E+009 days) Removal In Wastewater Treatment: Total removal: 2.60 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.51 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 7.07e-006 0.867 1000 Water 18.6 900 1000 Soil 81.3 1.8e+003 1000 Sediment 0.105 8.1e+003 0 Persistence Time: 1.56e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight