Try beta.chemspider
Diisopropyl 1-{3-[(1-amino-4-methyl-1-oxo-2-pentanyl)carbamoyl]-5,6-dihydroxy-2-cyclohexen-1-yl}-1,2-hydrazinedicarboxylate
CC(C)CC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)N(C(=O)OC(C)C)NC(=O)OC(C)C
InChI=1S/C21H36N4O8/c1-10(2)7-14(18(22)28)23-19(29)13-8-15(17(27)16(26)9-13)25(21(31)33-12(5)6)24-20(30)32-11(3)4/h8,10-12,14-17,26-27H,7,9H2,1-6H3,(H2,22,28)(H,23,29)(H,24,30)
XHYDLQDLDVPFLG-UHFFFAOYSA-N
CSID:3092220, http://www.chemspider.com/Chemical-Structure.3092220.html (accessed 17:45, Apr 29, 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) = -0.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 661.05 (Adapted Stein & Brown method) Melting Pt (deg C): 287.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.18E-019 (Modified Grain method) Subcooled liquid VP: 3.44E-016 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): 54.62 log Kow used: -0.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Acrylamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.65E-026 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.758E-021 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.02 (KowWin est) Log Kaw used: -23.451 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 23.431 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2603 Biowin2 (Non-Linear Model) : 0.9805 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3664 (weeks-months) Biowin4 (Primary Survey Model) : 3.8357 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5787 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2242 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): 4.59E-014 Pa (3.44E-016 mm Hg) Log Koa (Koawin est ): 23.431 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.54E+007 Octanol/air (Koa) model: 6.62E+010 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 = 117.0173 E-12 cm3/molecule-sec Half-Life = 0.091 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.097 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.720 Hrs 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 : 57.2 Log Koc: 1.757 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.374E-001 L/mol-sec Kb Half-Life at pH 8: 10.879 days Kb Half-Life at pH 7: 108.788 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.02 (estimated) Volatilization from Water: Henry LC: 8.65E-026 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.471E+022 hours (6.131E+020 days) Half-Life from Model Lake : 1.605E+023 hours (6.688E+021 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 6.51e-009 1.38 1000 Water 45.8 900 1000 Soil 54.1 1.8e+003 1000 Sediment 0.0887 8.1e+003 0 Persistence Time: 981 hr
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