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N,N'-(Oxydi-4,1-phenylene)dinonanamide
CCCCCCCCC(=O)Nc1ccc(cc1)Oc2ccc(cc2)NC(=O)CCCCCCCC
InChI=1S/C30H44N2O3/c1-3-5-7-9-11-13-15-29(33)31-25-17-21-27(22-18-25)35-28-23-19-26(20-24-28)32-30(34)16-14-12-10-8-6-4-2/h17-24H,3-16H2,1-2H3,(H,31,33)(H,32,34)
XFEGSWJFXKGLGU-UHFFFAOYSA-N
CSID:3409097, http://www.chemspider.com/Chemical-Structure.3409097.html (accessed 01:02, Jul 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) = 9.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 684.04 (Adapted Stein & Brown method) Melting Pt (deg C): 298.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.96E-016 (Modified Grain method) Subcooled liquid VP: 4.46E-013 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): 1.494e-005 log Kow used: 9.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.238e-006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.677E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.14 (KowWin est) Log Kaw used: -9.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.418 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2878 Biowin2 (Non-Linear Model) : 0.9994 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5670 (weeks-months) Biowin4 (Primary Survey Model) : 4.1803 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4889 Biowin6 (MITI Non-Linear Model): 0.2237 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3158 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): 5.95E-011 Pa (4.46E-013 mm Hg) Log Koa (Koawin est ): 18.418 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.04E+004 Octanol/air (Koa) model: 6.43E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.4537 E-12 cm3/molecule-sec Half-Life = 0.216 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.595 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.717E+006 Log Koc: 6.674 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 = 0.500 (BCF = 3.162) log Kow used: 9.14 (estimated) Volatilization from Water: Henry LC: 1.29E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 9.951E+007 hours (4.146E+006 days) Half-Life from Model Lake : 1.086E+009 hours (4.523E+007 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.0587 5.19 1000 Water 1.84 900 1000 Soil 30.6 1.8e+003 1000 Sediment 67.5 8.1e+003 0 Persistence Time: 3.27e+003 hr
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