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2-Decanyl 2,6-diisopropylphenyl imidodicarbonate
CCCCCCCCC(C)OC(=O)NC(=O)OC1=C(C=CC=C1C(C)C)C(C)C
InChI=1S/C24H39NO4/c1-7-8-9-10-11-12-14-19(6)28-23(26)25-24(27)29-22-20(17(2)3)15-13-16-21(22)18(4)5/h13,15-19H,7-12,14H2,1-6H3,(H,25,26,27)
UZZLPQYOWSZFFC-UHFFFAOYSA-N
CSID:8176933, http://www.chemspider.com/Chemical-Structure.8176933.html (accessed 15:18, May 21, 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) = 8.30 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 431.64 (Adapted Stein & Brown method) Melting Pt (deg C): 110.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.03E-007 (Modified Grain method) Subcooled liquid VP: 1.4E-006 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): 0.0002306 log Kow used: 8.30 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.54e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Imides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.29E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.698E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.30 (KowWin est) Log Kaw used: -3.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.578 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7722 Biowin2 (Non-Linear Model) : 0.5615 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4515 (weeks-months) Biowin4 (Primary Survey Model) : 3.3946 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1916 Biowin6 (MITI Non-Linear Model): 0.0051 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3920 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): 0.000187 Pa (1.4E-006 mm Hg) Log Koa (Koawin est ): 11.578 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0161 Octanol/air (Koa) model: 0.0929 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.367 Mackay model : 0.563 Octanol/air (Koa) model: 0.881 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 36.7258 E-12 cm3/molecule-sec Half-Life = 0.291 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.495 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.465 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.14E+004 Log Koc: 4.911 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.863E+005 L/mol-sec Kb Half-Life at pH 8: 3.720 seconds Kb Half-Life at pH 7: 37.204 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.528 (BCF = 33.75) log Kow used: 8.30 (estimated) Volatilization from Water: Henry LC: 1.29E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 93.46 hours (3.894 days) Half-Life from Model Lake : 1188 hours (49.52 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.086 6.99 1000 Water 1.88 900 1000 Soil 29.5 1.8e+003 1000 Sediment 68.6 8.1e+003 0 Persistence Time: 3.2e+003 hr
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