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2-(Diethylamino)ethyl dodecyl phthalate
CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCN(CC)CC
InChI=1S/C26H43NO4/c1-4-7-8-9-10-11-12-13-14-17-21-30-25(28)23-18-15-16-19-24(23)26(29)31-22-20-27(5-2)6-3/h15-16,18-19H,4-14,17,20-22H2,1-3H3
WJGVFWUPURHMKU-UHFFFAOYSA-N
CSID:4926952, http://www.chemspider.com/Chemical-Structure.4926952.html (accessed 15:18, 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) = 7.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 465.42 (Adapted Stein & Brown method) Melting Pt (deg C): 146.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.18E-008 (Modified Grain method) Subcooled liquid VP: 2.03E-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): 0.004678 log Kow used: 7.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.006447 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.86E-009 atm-m3/mole Group Method: 1.86E-009 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.439E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.74 (KowWin est) Log Kaw used: -6.621 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.361 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7926 Biowin2 (Non-Linear Model) : 0.9903 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5648 (weeks-months) Biowin4 (Primary Survey Model) : 3.6611 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8001 Biowin6 (MITI Non-Linear Model): 0.7391 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4434 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): 2.71E-005 Pa (2.03E-007 mm Hg) Log Koa (Koawin est ): 14.361 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.111 Octanol/air (Koa) model: 56.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.8 Mackay model : 0.899 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 112.2432 E-12 cm3/molecule-sec Half-Life = 0.095 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.144 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.849 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.784E+005 Log Koc: 5.680 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 6.431E-002 L/mol-sec Kb Half-Life at pH 8: 124.738 days Kb Half-Life at pH 7: 3.415 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.289 (BCF = 194.8) log Kow used: 7.74 (estimated) Volatilization from Water: Henry LC: 1.86E-009 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 6.555E+005 hours (2.731E+004 days) Half-Life from Model Lake : 7.151E+006 hours (2.98E+005 days) Removal In Wastewater Treatment: Total removal: 94.00 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.22 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 0.0167 2.29 1000 Water 1.78 900 1000 Soil 34.4 1.8e+003 1000 Sediment 63.8 8.1e+003 0 Persistence Time: 3.53e+003 hr
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