Try beta.chemspider
2,2,4,4-Tetramethyl-1,3-cyclobutanediyl bis(diethylcarbamate)
CCN(CC)C(=O)OC1C(C(C1(C)C)OC(=O)N(CC)CC)(C)C
InChI=1S/C18H34N2O4/c1-9-19(10-2)15(21)23-13-17(5,6)14(18(13,7)8)24-16(22)20(11-3)12-4/h13-14H,9-12H2,1-8H3
NIZLTBPNBPGYCG-UHFFFAOYSA-N
CSID:312562, http://www.chemspider.com/Chemical-Structure.312562.html (accessed 15:27, Jul 5, 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) = 4.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 350.05 (Adapted Stein & Brown method) Melting Pt (deg C): 89.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.14E-005 (Modified Grain method) Subcooled liquid VP: 0.000132 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): 0.5276 log Kow used: 4.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1758 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.79E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.682E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.82 (KowWin est) Log Kaw used: -6.497 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.317 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3757 Biowin2 (Non-Linear Model) : 0.0362 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9247 (months ) Biowin4 (Primary Survey Model) : 3.4340 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0326 Biowin6 (MITI Non-Linear Model): 0.0161 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2861 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): 0.0176 Pa (0.000132 mm Hg) Log Koa (Koawin est ): 11.317 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00017 Octanol/air (Koa) model: 0.0509 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00612 Mackay model : 0.0135 Octanol/air (Koa) model: 0.803 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 42.6476 E-12 cm3/molecule-sec Half-Life = 0.251 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.010 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00979 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9187 Log Koc: 3.963 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.959E-011 L/mol-sec Kb Half-Life at pH 8: 1.121E+009 years Kb Half-Life at pH 7: 1.121E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.010 (BCF = 1024) log Kow used: 4.82 (estimated) Volatilization from Water: Henry LC: 7.79E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.391E+005 hours (5795 days) Half-Life from Model Lake : 1.518E+006 hours (6.323E+004 days) Removal In Wastewater Treatment: Total removal: 71.19 percent Total biodegradation: 0.63 percent Total sludge adsorption: 70.56 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 0.0257 6.02 1000 Water 7.46 1.44e+003 1000 Soil 77.2 2.88e+003 1000 Sediment 15.3 1.3e+004 0 Persistence Time: 2.94e+003 hr
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