Try beta.chemspider
2-{[(2-Methylcyclohexyl)carbamoyl]amino}-2-oxoethyl 5,6-dihydro-1,4-dioxine-2-carboxylate
CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=COCCO2
InChI=1S/C15H22N2O6/c1-10-4-2-3-5-11(10)16-15(20)17-13(18)9-23-14(19)12-8-21-6-7-22-12/h8,10-11H,2-7,9H2,1H3,(H2,16,17,18,20)
SIGGRZUYNNNVSX-UHFFFAOYSA-N
CSID:11830197, http://www.chemspider.com/Chemical-Structure.11830197.html (accessed 23:53, Apr 24, 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) = 1.88 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 535.38 (Adapted Stein & Brown method) Melting Pt (deg C): 229.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.22E-011 (Modified Grain method) Subcooled liquid VP: 3.46E-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): 214.2 log Kow used: 1.88 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9056.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Imides Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.37E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.450E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.88 (KowWin est) Log Kaw used: -11.252 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.132 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0716 Biowin2 (Non-Linear Model) : 0.0121 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6008 (weeks-months) Biowin4 (Primary Survey Model) : 3.5864 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2872 Biowin6 (MITI Non-Linear Model): 0.0463 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2749 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): 4.61E-007 Pa (3.46E-009 mm Hg) Log Koa (Koawin est ): 13.132 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.5 Octanol/air (Koa) model: 3.33 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.3259 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.437 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 4.375000 E-17 cm3/molecule-sec Half-Life = 0.262 Days (at 7E11 mol/cm3) Half-Life = 6.287 Hrs Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.804E-003 L/mol-sec Kb Half-Life at pH 8: 4.572 years Kb Half-Life at pH 7: 45.718 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.745 (BCF = 5.563) log Kow used: 1.88 (estimated) Volatilization from Water: Henry LC: 1.37E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.72E+009 hours (3.217E+008 days) Half-Life from Model Lake : 8.422E+010 hours (3.509E+009 days) Removal In Wastewater Treatment: Total removal: 2.15 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.05 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 0.000532 1.97 1000 Water 25.3 900 1000 Soil 74.6 1.8e+003 1000 Sediment 0.0858 8.1e+003 0 Persistence Time: 1.36e+003 hr
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