Try beta.chemspider
- Double-bond stereo
(2E)-N-Cyclododecyl-3-(3,4-dimethoxyphenyl)acrylamide
COc1ccc(cc1OC)/C=C/C(=O)NC2CCCCCCCCCCC2
InChI=1S/C23H35NO3/c1-26-21-16-14-19(18-22(21)27-2)15-17-23(25)24-20-12-10-8-6-4-3-5-7-9-11-13-20/h14-18,20H,3-13H2,1-2H3,(H,24,25)/b17-15+
FUQTYYWTSVLZMW-BMRADRMJSA-N
CSID:4648863, http://www.chemspider.com/Chemical-Structure.4648863.html (accessed 06:30, May 13, 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) = 6.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 519.22 (Adapted Stein & Brown method) Melting Pt (deg C): 221.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.06E-011 (Modified Grain method) Subcooled liquid VP: 8.93E-009 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): 0.02499 log Kow used: 6.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.87836 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.02E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.389E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.15 (KowWin est) Log Kaw used: -9.083 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.233 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0437 Biowin2 (Non-Linear Model) : 0.9926 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2032 (months ) Biowin4 (Primary Survey Model) : 3.6685 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3852 Biowin6 (MITI Non-Linear Model): 0.1421 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2489 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): 1.19E-006 Pa (8.93E-009 mm Hg) Log Koa (Koawin est ): 15.233 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.52 Octanol/air (Koa) model: 420 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 71.9643 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 74.6243 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.784 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.720 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 1.050000 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec [Trans-] Half-Life = 1.091 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 13.097 Hrs (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.437E+004 Log Koc: 4.735 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 = 4.035 (BCF = 1.083e+004) log Kow used: 6.15 (estimated) Volatilization from Water: Henry LC: 2.02E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.602E+007 hours (2.334E+006 days) Half-Life from Model Lake : 6.111E+008 hours (2.546E+007 days) Removal In Wastewater Treatment: Total removal: 92.70 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.93 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 0.00596 3.14 1000 Water 2.16 1.44e+003 1000 Soil 46.1 2.88e+003 1000 Sediment 51.8 1.3e+004 0 Persistence Time: 5.14e+003 hr
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