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1-(4-Methylphenyl)cyclopropanecarboxylate
[O-]C(=O)C2(c1ccc(cc1)C)CC2
InChI=1S/C11H12O2/c1-8-2-4-9(5-3-8)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)/p-1
AYUGAOYMYXSOKU-UHFFFAOYSA-M
CSID:5323676, http://www.chemspider.com/Chemical-Structure.5323676.html (accessed 07:08, Jul 9, 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
No predicted properties have been calculated for this compound.
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 307.32 (Adapted Stein & Brown method) Melting Pt (deg C): 94.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000279 (Modified Grain method) Subcooled liquid VP: 0.00132 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): 659.2 log Kow used: 2.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 492.48 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.79E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.814E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.73 (KowWin est) Log Kaw used: -5.810 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.540 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6071 Biowin2 (Non-Linear Model) : 0.5009 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8874 (weeks ) Biowin4 (Primary Survey Model) : 3.7571 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5505 Biowin6 (MITI Non-Linear Model): 0.5580 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3049 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.176 Pa (0.00132 mm Hg) Log Koa (Koawin est ): 8.540 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.7E-005 Octanol/air (Koa) model: 8.51E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000615 Mackay model : 0.00136 Octanol/air (Koa) model: 0.00676 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.8191 E-12 cm3/molecule-sec Half-Life = 1.569 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.822 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000989 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 138.7 Log Koc: 2.142 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 = 0.500 (BCF = 3.162) log Kow used: 2.73 (estimated) Volatilization from Water: Henry LC: 3.79E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.051E+004 hours (854.5 days) Half-Life from Model Lake : 2.238E+005 hours (9327 days) Removal In Wastewater Treatment: Total removal: 3.95 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.84 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 0.519 37.7 1000 Water 19.3 360 1000 Soil 79.9 720 1000 Sediment 0.198 3.24e+003 0 Persistence Time: 674 hr
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