Try beta.chemspider
3,5-Bis(2-methyl-2-propanyl)phenyl methylcarbamate
CC(C)(C)c1cc(cc(c1)OC(=O)NC)C(C)(C)C
InChI=1S/C16H25NO2/c1-15(2,3)11-8-12(16(4,5)6)10-13(9-11)19-14(18)17-7/h8-10H,1-7H3,(H,17,18)
SLZWBCGZQRRUNG-UHFFFAOYSA-N
CSID:16607, http://www.chemspider.com/Chemical-Structure.16607.html (accessed 15:01, Apr 26, 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) = 4.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 326.09 (Adapted Stein & Brown method) Melting Pt (deg C): 100.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.37E-005 (Modified Grain method) MP (exp database): 103 deg C VP (exp database): 1.98E-06 mm Hg at 20 deg C Subcooled liquid VP: 1.17E-005 mm Hg (20 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.088 log Kow used: 4.99 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 15 mg/L (20 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.9383 mg/L Wat Sol (Exper. database match) = 15.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.14E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.666E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.99 (KowWin est) Log Kaw used: -5.058 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.048 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3338 Biowin2 (Non-Linear Model) : 0.0404 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1462 (months ) Biowin4 (Primary Survey Model) : 3.3545 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0479 Biowin6 (MITI Non-Linear Model): 0.0334 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6757 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): 0.00156 Pa (1.17E-005 mm Hg) Log Koa (Koawin est ): 10.048 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00192 Octanol/air (Koa) model: 0.00274 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.065 Mackay model : 0.133 Octanol/air (Koa) model: 0.18 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.4844 E-12 cm3/molecule-sec Half-Life = 0.738 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.861 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0991 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1086 Log Koc: 3.036 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.460E+000 L/mol-sec Kb Half-Life at pH 8: 5.494 days Kb Half-Life at pH 7: 54.939 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.143 (BCF = 1391) log Kow used: 4.99 (estimated) Volatilization from Water: Henry LC: 2.14E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4442 hours (185.1 days) Half-Life from Model Lake : 4.859E+004 hours (2025 days) Removal In Wastewater Treatment: Total removal: 77.38 percent Total biodegradation: 0.68 percent Total sludge adsorption: 76.71 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 0.221 17.7 1000 Water 8.25 1.44e+003 1000 Soil 66.9 2.88e+003 1000 Sediment 24.6 1.3e+004 0 Persistence Time: 2.44e+003 hr
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