Try beta.chemspider
Cyclohexyl [(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetate
c1cc2c(cc1OCC(=O)OC3CCCCC3)oc(=O)c4c2CCCC4
InChI=1S/C21H24O5/c22-20(25-14-6-2-1-3-7-14)13-24-15-10-11-17-16-8-4-5-9-18(16)21(23)26-19(17)12-15/h10-12,14H,1-9,13H2
YJOAOQFQYFXCAW-UHFFFAOYSA-N
CSID:1661521, http://www.chemspider.com/Chemical-Structure.1661521.html (accessed 07:32, Apr 29, 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) = 4.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 480.76 (Adapted Stein & Brown method) Melting Pt (deg C): 191.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.5E-009 (Modified Grain method) Subcooled liquid VP: 8.38E-008 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): 2.12 log Kow used: 4.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.51 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Esters Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.33E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.318E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.01 (KowWin est) Log Kaw used: -4.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.275 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5789 Biowin2 (Non-Linear Model) : 0.9357 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6833 (weeks-months) Biowin4 (Primary Survey Model) : 3.7817 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5987 Biowin6 (MITI Non-Linear Model): 0.3860 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3127 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): 1.12E-005 Pa (8.38E-008 mm Hg) Log Koa (Koawin est ): 8.275 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.268 Octanol/air (Koa) model: 4.62E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.907 Mackay model : 0.956 Octanol/air (Koa) model: 0.00369 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 272.3391 E-12 cm3/molecule-sec Half-Life = 0.039 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.278 Min Ozone Reaction: OVERALL Ozone Rate Constant = 38.272499 E-17 cm3/molecule-sec Half-Life = 0.030 Days (at 7E11 mol/cm3) Half-Life = 43.118 Min Fraction sorbed to airborne particulates (phi): 0.931 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1901 Log Koc: 3.279 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 = 2.390 (BCF = 245.4) log Kow used: 4.01 (estimated) Volatilization from Water: Henry LC: 1.33E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 833 hours (34.71 days) Half-Life from Model Lake : 9246 hours (385.2 days) Removal In Wastewater Treatment: Total removal: 30.57 percent Total biodegradation: 0.32 percent Total sludge adsorption: 30.19 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0176 0.408 1000 Water 16.9 900 1000 Soil 79.1 1.8e+003 1000 Sediment 4.07 8.1e+003 0 Persistence Time: 1.1e+003 hr
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