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[(7-Methyl-2-oxo-4-propyl-2H-chromen-5-yl)oxy]acetate
[O-]C(=O)COc2cc(cc1OC(=O)/C=C(\c12)CCC)C
InChI=1S/C15H16O5/c1-3-4-10-7-14(18)20-12-6-9(2)5-11(15(10)12)19-8-13(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17)/p-1
HSQSPJMPCZQXMR-UHFFFAOYSA-M
CSID:5327436, http://www.chemspider.com/Chemical-Structure.5327436.html (accessed 05:25, Jun 18, 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) = 2.92 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 449.64 (Adapted Stein & Brown method) Melting Pt (deg C): 181.86 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.16E-008 (Modified Grain method) Subcooled liquid VP: 5.02E-007 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): 132.8 log Kow used: 2.92 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 67.723 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.60E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.175E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.92 (KowWin est) Log Kaw used: -8.569 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.489 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0495 Biowin2 (Non-Linear Model) : 0.9987 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9604 (weeks ) Biowin4 (Primary Survey Model) : 4.0722 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8230 Biowin6 (MITI Non-Linear Model): 0.7920 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7350 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): 6.69E-005 Pa (5.02E-007 mm Hg) Log Koa (Koawin est ): 11.489 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0448 Octanol/air (Koa) model: 0.0757 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.618 Mackay model : 0.782 Octanol/air (Koa) model: 0.858 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 92.2417 E-12 cm3/molecule-sec Half-Life = 0.116 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.391 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 13.650000 E-17 cm3/molecule-sec Half-Life = 0.084 Days (at 7E11 mol/cm3) Half-Life = 2.015 Hrs Fraction sorbed to airborne particulates (phi): 0.7 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 94.49 Log Koc: 1.975 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: 2.92 (estimated) Volatilization from Water: Henry LC: 6.6E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.475E+007 hours (6.144E+005 days) Half-Life from Model Lake : 1.609E+008 hours (6.702E+006 days) Removal In Wastewater Treatment: Total removal: 5.06 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.95 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 0.00359 1.17 1000 Water 17.3 360 1000 Soil 82.4 720 1000 Sediment 0.25 3.24e+003 0 Persistence Time: 756 hr
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