Ethyl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
CCOC(=O)C1C(C1(C)C)C=C(C)C
InChI=1S/C12H20O2/c1-6-14-11(13)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3
VIMXTGUGWLAOFZ-UHFFFAOYSA-N
CSID:7057, http://www.chemspider.com/Chemical-Structure.7057.html (accessed 09:38, Nov 29, 2023)
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) = 4.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 231.48 (Adapted Stein & Brown method) Melting Pt (deg C): 14.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0724 (Mean VP of Antoine & Grain methods) BP (exp database): 112 @ 10 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.44 log Kow used: 4.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 40.822 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.03E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.791E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.26 (KowWin est) Log Kaw used: -1.376 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.636 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6443 Biowin2 (Non-Linear Model) : 0.9294 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6935 (weeks-months) Biowin4 (Primary Survey Model) : 3.6401 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6221 Biowin6 (MITI Non-Linear Model): 0.5001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3072 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): 9.12 Pa (0.0684 mm Hg) Log Koa (Koawin est ): 5.636 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.29E-007 Octanol/air (Koa) model: 1.06E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.19E-005 Mackay model : 2.63E-005 Octanol/air (Koa) model: 8.49E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 89.2451 E-12 cm3/molecule-sec Half-Life = 0.120 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.438 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 43.000000 E-17 cm3/molecule-sec Half-Life = 0.027 Days (at 7E11 mol/cm3) Half-Life = 38.378 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1.91E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 527 Log Koc: 2.722 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.201E-002 L/mol-sec Kb Half-Life at pH 8: 1.829 years Kb Half-Life at pH 7: 18.293 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.933 (BCF = 8.571) log Kow used: 4.26 (estimated) Volatilization from Water: Henry LC: 0.00103 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.226 hours Half-Life from Model Lake : 141.8 hours (5.907 days) Removal In Wastewater Treatment: Total removal: 56.52 percent Total biodegradation: 0.34 percent Total sludge adsorption: 38.46 percent Total to Air: 17.72 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0421 0.523 1000 Water 9.35 900 1000 Soil 86.6 1.8e+003 1000 Sediment 4.04 8.1e+003 0 Persistence Time: 939 hr
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