Try beta.chemspider
Methyl 5',6-bis(acryloyloxy)-4',5-dihydroxy-2',3-dimethyl-1,1'-bi(cyclohexyl)-2-carboxylate
CC1CC(C(CC1C2C(C(CC(C2OC(=O)C=C)O)C)C(=O)OC)OC(=O)C=C)O
InChI=1S/C22H32O8/c1-6-17(25)29-16-10-13(11(3)8-14(16)23)20-19(22(27)28-5)12(4)9-15(24)21(20)30-18(26)7-2/h6-7,11-16,19-21,23-24H,1-2,8-10H2,3-5H3
GAMZTBFTHPAOHJ-UHFFFAOYSA-N
CSID:96273, http://www.chemspider.com/Chemical-Structure.96273.html (accessed 15:21, May 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
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 483.83 (Adapted Stein & Brown method) Melting Pt (deg C): 166.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.74E-012 (Modified Grain method) Subcooled liquid VP: 1.95E-010 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): 4.501 log Kow used: 3.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 255.18 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acrylates Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.86E-015 atm-m3/mole Group Method: 9.74E-021 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.364E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.14 (KowWin est) Log Kaw used: -12.932 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 16.072 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.3855 Biowin2 (Non-Linear Model) : 1.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0017 (weeks ) Biowin4 (Primary Survey Model) : 4.1811 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 1.0123 Biowin6 (MITI Non-Linear Model): 0.3524 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9323 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): 2.6E-008 Pa (1.95E-010 mm Hg) Log Koa (Koawin est ): 16.072 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 115 Octanol/air (Koa) model: 2.9E+003 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 67.4186 E-12 cm3/molecule-sec Half-Life = 0.159 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.904 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.350000 E-17 cm3/molecule-sec Half-Life = 3.274 Days (at 7E11 mol/cm3) Half-Life = 78.583 Hrs Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 304.6 Log Koc: 2.484 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.429E-002 L/mol-sec Kb Half-Life at pH 8: 330.283 days Kb Half-Life at pH 7: 9.043 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.717 (BCF = 52.08) log Kow used: 3.14 (estimated) Volatilization from Water: Henry LC: 2.86E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.218E+011 hours (1.757E+010 days) Half-Life from Model Lake : 4.601E+012 hours (1.917E+011 days) Removal In Wastewater Treatment: Total removal: 7.07 percent Total biodegradation: 0.13 percent Total sludge adsorption: 6.94 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 0.000265 3.63 1000 Water 16.6 360 1000 Soil 83 720 1000 Sediment 0.362 3.24e+003 0 Persistence Time: 777 hr
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