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2-Methyl-2-propanyl di-2-propyn-1-ylcarbamate
CC(C)(C)OC(=O)N(CC#C)CC#C
InChI=1S/C11H15NO2/c1-6-8-12(9-7-2)10(13)14-11(3,4)5/h1-2H,8-9H2,3-5H3
BPKHWXYPEWXEAL-UHFFFAOYSA-N
CSID:13626220, http://www.chemspider.com/Chemical-Structure.13626220.html (accessed 02:07, 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) = 2.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 241.95 (Adapted Stein & Brown method) Melting Pt (deg C): 48.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0244 (Modified Grain method) Subcooled liquid VP: 0.0402 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): 692.3 log Kow used: 2.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 469.73 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.12E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.962E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (KowWin est) Log Kaw used: -6.062 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.212 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5512 Biowin2 (Non-Linear Model) : 0.3895 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5133 (weeks-months) Biowin4 (Primary Survey Model) : 3.6091 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2614 Biowin6 (MITI Non-Linear Model): 0.2112 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3151 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): 5.36 Pa (0.0402 mm Hg) Log Koa (Koawin est ): 8.212 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.6E-007 Octanol/air (Koa) model: 4E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.02E-005 Mackay model : 4.48E-005 Octanol/air (Koa) model: 0.00319 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.2118 E-12 cm3/molecule-sec Half-Life = 0.343 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.112 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.006000 E-17 cm3/molecule-sec Half-Life = 191.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 3.25E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 568.7 Log Koc: 2.755 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.182E-017 L/mol-sec Kb Half-Life at pH 8: 1.006E+015 years Kb Half-Life at pH 7: 1.006E+016 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.954 (BCF = 9.005) log Kow used: 2.15 (estimated) Volatilization from Water: Henry LC: 2.12E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.839E+004 hours (1600 days) Half-Life from Model Lake : 4.19E+005 hours (1.746E+004 days) Removal In Wastewater Treatment: Total removal: 2.41 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.31 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 0.132 8.21 1000 Water 22.9 900 1000 Soil 76.9 1.8e+003 1000 Sediment 0.107 8.1e+003 0 Persistence Time: 1.21e+003 hr
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