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6,6'-Methylenebis(1,1,3,3-tetramethyl-5-indanol)
CC1(CC(c2c1cc(c(c2)O)Cc3cc4c(cc3O)C(CC4(C)C)(C)C)(C)C)C
InChI=1S/C27H36O2/c1-24(2)14-26(5,6)20-12-22(28)16(10-18(20)24)9-17-11-19-21(13-23(17)29)27(7,8)15-25(19,3)4/h10-13,28-29H,9,14-15H2,1-8H3
COLYSLCNGKYMCR-UHFFFAOYSA-N
CSID:4955447, http://www.chemspider.com/Chemical-Structure.4955447.html (accessed 02:17, May 6, 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) = 9.02 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 510.57 (Adapted Stein & Brown method) Melting Pt (deg C): 217.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.45E-013 (Modified Grain method) Subcooled liquid VP: 2.77E-011 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): 6.725e-005 log Kow used: 9.02 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.4528e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.882E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.02 (KowWin est) Log Kaw used: -2.255 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.275 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1424 Biowin2 (Non-Linear Model) : 0.0007 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8031 (months ) Biowin4 (Primary Survey Model) : 2.9265 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2539 Biowin6 (MITI Non-Linear Model): 0.0174 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3800 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): 3.69E-009 Pa (2.77E-011 mm Hg) Log Koa (Koawin est ): 11.275 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 812 Octanol/air (Koa) model: 0.0462 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.787 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 539.0110 E-12 cm3/molecule-sec Half-Life = 0.020 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 14.287 Min Ozone Reaction: OVERALL Ozone Rate Constant = 10.880000 E-17 cm3/molecule-sec Half-Life = 0.105 Days (at 7E11 mol/cm3) Half-Life = 2.528 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 : 1.371E+004 Log Koc: 4.137 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 = 2.041 (BCF = 109.9) log Kow used: 9.02 (estimated) Volatilization from Water: Henry LC: 0.000136 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 10.55 hours Half-Life from Model Lake : 281.3 hours (11.72 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.25 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 0.00401 0.401 1000 Water 1.39 1.44e+003 1000 Soil 29.9 2.88e+003 1000 Sediment 68.7 1.3e+004 0 Persistence Time: 4.7e+003 hr
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