Try beta.chemspider
2-(Diethylamino)ethyl 2-hydroxy-3-biphenylcarboxylate
CCN(CC)CCOC(=O)c1cccc(c1O)c2ccccc2
InChI=1S/C19H23NO3/c1-3-20(4-2)13-14-23-19(22)17-12-8-11-16(18(17)21)15-9-6-5-7-10-15/h5-12,21H,3-4,13-14H2,1-2H3
HLDCSYXMVXILQC-UHFFFAOYSA-N
CSID:20415, http://www.chemspider.com/Chemical-Structure.20415.html (accessed 02:00, Apr 27, 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) = 5.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 438.24 (Adapted Stein & Brown method) Melting Pt (deg C): 170.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.69E-007 (Modified Grain method) MP (exp database): < 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 19.43 log Kow used: 5.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 10.325 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Phenols Salicylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.05E-010 atm-m3/mole Group Method: 1.25E-013 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.587E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.05 (KowWin est) Log Kaw used: -7.781 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.831 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8112 Biowin2 (Non-Linear Model) : 0.9578 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4704 (weeks-months) Biowin4 (Primary Survey Model) : 3.3811 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3671 Biowin6 (MITI Non-Linear Model): 0.1533 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5866 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): 2.25E-005 Pa (1.69E-007 mm Hg) Log Koa (Koawin est ): 12.831 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.133 Octanol/air (Koa) model: 1.66 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.828 Mackay model : 0.914 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 107.4531 E-12 cm3/molecule-sec Half-Life = 0.100 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.194 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.871 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.59E+004 Log Koc: 4.880 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.372E-002 L/mol-sec Kb Half-Life at pH 8: 125.887 days Kb Half-Life at pH 7: 3.447 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.186 (BCF = 1535) log Kow used: 5.05 (estimated) Volatilization from Water: Henry LC: 4.05E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.559E+006 hours (1.066E+005 days) Half-Life from Model Lake : 2.792E+007 hours (1.163E+006 days) Removal In Wastewater Treatment: Total removal: 79.23 percent Total biodegradation: 0.69 percent Total sludge adsorption: 78.54 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 0.00278 2.39 1000 Water 8.01 900 1000 Soil 71.6 1.8e+003 1000 Sediment 20.4 8.1e+003 0 Persistence Time: 2.24e+003 hr
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