Try beta.chemspider
2-[4-(Dimethylamino)phenyl]ethanol
CN(C)c1ccc(cc1)CCO
InChI=1S/C10H15NO/c1-11(2)10-5-3-9(4-6-10)7-8-12/h3-6,12H,7-8H2,1-2H3
CDTPAAZQBPSVGS-UHFFFAOYSA-N
CSID:84189, http://www.chemspider.com/Chemical-Structure.84189.html (accessed 00:05, Jun 7, 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) = 1.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 276.57 (Adapted Stein & Brown method) Melting Pt (deg C): 54.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000319 (Modified Grain method) Subcooled liquid VP: 0.000599 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): 2097 log Kow used: 1.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38446 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.59E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.307E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.74 (KowWin est) Log Kaw used: -6.727 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.467 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6770 Biowin2 (Non-Linear Model) : 0.5335 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6643 (weeks-months) Biowin4 (Primary Survey Model) : 3.3823 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3243 Biowin6 (MITI Non-Linear Model): 0.2217 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7427 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): 0.0799 Pa (0.000599 mm Hg) Log Koa (Koawin est ): 8.467 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.76E-005 Octanol/air (Koa) model: 7.19E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00135 Mackay model : 0.003 Octanol/air (Koa) model: 0.00572 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 207.8393 E-12 cm3/molecule-sec Half-Life = 0.051 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.618 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00218 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 13.46 Log Koc: 1.129 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 = -0.007 (BCF = 0.9841) log Kow used: 1.74 (estimated) Volatilization from Water: Henry LC: 4.59E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.64E+005 hours (6832 days) Half-Life from Model Lake : 1.789E+006 hours (7.454E+004 days) Removal In Wastewater Treatment: Total removal: 2.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.97 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 0.03 1.24 1000 Water 31 900 1000 Soil 68.8 1.8e+003 1000 Sediment 0.0924 8.1e+003 0 Persistence Time: 1.01e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight