Try beta.chemspider
N-(2,6-Difluorophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)acetamide
CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)Nc3c(cccc3F)F)(C)C
InChI=1S/C19H23F2N3O3/c1-11-7-18(2,3)10-19(8-11)16(26)24(17(27)23-19)9-14(25)22-15-12(20)5-4-6-13(15)21/h4-6,11H,7-10H2,1-3H3,(H,22,25)(H,23,27)
HFXWOVMHNRLISU-UHFFFAOYSA-N
CSID:3503031, http://www.chemspider.com/Chemical-Structure.3503031.html (accessed 01:13, Jun 15, 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) = 2.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 596.56 (Adapted Stein & Brown method) Melting Pt (deg C): 257.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.61E-013 (Modified Grain method) Subcooled liquid VP: 9.07E-011 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): 61.89 log Kow used: 2.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.74061 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.34E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.105E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.13 (KowWin est) Log Kaw used: -11.865 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.995 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -1.2108 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0684 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2258 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0269 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2199 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): 1.21E-008 Pa (9.07E-011 mm Hg) Log Koa (Koawin est ): 13.995 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 248 Octanol/air (Koa) model: 24.3 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 20.2832 E-12 cm3/molecule-sec Half-Life = 0.527 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.328 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 : 5186 Log Koc: 3.715 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 = 0.942 (BCF = 8.755) log Kow used: 2.13 (estimated) Volatilization from Water: Henry LC: 3.34E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.414E+010 hours (1.423E+009 days) Half-Life from Model Lake : 3.725E+011 hours (1.552E+010 days) Removal In Wastewater Treatment: Total removal: 2.38 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.29 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 0.00228 12.7 1000 Water 20 4.32e+003 1000 Soil 79.9 8.64e+003 1000 Sediment 0.0962 3.89e+004 0 Persistence Time: 3.36e+003 hr
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