2,6-Diisopropylphenyl [(2,6-diisopropylphenoxy)sulfonyl]carbamate
CC(C)c1cccc(c1OC(=O)NS(=O)(=O)Oc2c(cccc2C(C)C)C(C)C)C(C)C
InChI=1S/C25H35NO5S/c1-15(2)19-11-9-12-20(16(3)4)23(19)30-25(27)26-32(28,29)31-24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H,26,27)
MHCQGCLTFBMETG-UHFFFAOYSA-N
CSID:2291449, http://www.chemspider.com/Chemical-Structure.2291449.html (accessed 11:08, Mar 28, 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) = 7.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 535.63 (Adapted Stein & Brown method) Melting Pt (deg C): 229.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.18E-011 (Modified Grain method) Subcooled liquid VP: 3.4E-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): 0.0002308 log Kow used: 7.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0016871 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.06E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.737E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.89 (KowWin est) Log Kaw used: -5.903 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.793 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7465 Biowin2 (Non-Linear Model) : 0.2248 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8796 (months ) Biowin4 (Primary Survey Model) : 2.9076 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.6476 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6985 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): 4.53E-007 Pa (3.4E-009 mm Hg) Log Koa (Koawin est ): 13.793 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.62 Octanol/air (Koa) model: 15.2 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 50.9995 E-12 cm3/molecule-sec Half-Life = 0.210 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.517 Hrs Ozone Reaction: No Ozone Reaction Estimation 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 : 4.071E+005 Log Koc: 5.610 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.436E+009 L/mol-sec Kb Half-Life at pH 8: 0.000 seconds Kb Half-Life at pH 7: 0.005 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.593 (BCF = 3920) log Kow used: 7.89 (estimated) Volatilization from Water: Henry LC: 3.06E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.111E+004 hours (1713 days) Half-Life from Model Lake : 4.487E+005 hours (1.869E+004 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.0381 5.03 1000 Water 1.36 1.44e+003 1000 Soil 32.4 2.88e+003 1000 Sediment 66.2 1.3e+004 0 Persistence Time: 4.93e+003 hr
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