Try beta.chemspider
(Diisobutylamino)(ethylsulfinyl)methanone
CCS(=O)C(=O)N(CC(C)C)CC(C)C
InChI=1S/C11H23NO2S/c1-6-15(14)11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
OASGLEDGYHQIPH-UHFFFAOYSA-N
CSID:36706, http://www.chemspider.com/Chemical-Structure.36706.html (accessed 10:00, May 2, 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) = 1.31 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 345.74 (Adapted Stein & Brown method) Melting Pt (deg C): 106.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.65E-005 (Modified Grain method) Subcooled liquid VP: 0.000167 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): 2231 log Kow used: 1.31 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 11521 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.71E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.647E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.31 (KowWin est) Log Kaw used: -7.155 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.465 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6364 Biowin2 (Non-Linear Model) : 0.4243 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6834 (weeks-months) Biowin4 (Primary Survey Model) : 3.5110 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0668 Biowin6 (MITI Non-Linear Model): 0.0463 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1845 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): 0.0223 Pa (0.000167 mm Hg) Log Koa (Koawin est ): 8.465 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000135 Octanol/air (Koa) model: 7.16E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00484 Mackay model : 0.0107 Octanol/air (Koa) model: 0.0057 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 34.2143 E-12 cm3/molecule-sec Half-Life = 0.313 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.751 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00775 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1358 Log Koc: 3.133 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.307 (BCF = 2.026) log Kow used: 1.31 (estimated) Volatilization from Water: Henry LC: 1.71E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.23E+005 hours (2.179E+004 days) Half-Life from Model Lake : 5.706E+006 hours (2.378E+005 days) Removal In Wastewater Treatment: Total removal: 1.93 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 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 0.02 7.5 1000 Water 36.6 900 1000 Soil 63.3 1.8e+003 1000 Sediment 0.0847 8.1e+003 0 Persistence Time: 1.1e+003 hr
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