Try beta.chemspider
- Double-bond stereo
{4-[(Z)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)-2-(trimethylsilyl)vinyl]phenyl}methanol
OCc1ccc(cc1)\C=C(\c2ccc3c(c2)C(CCC3(C)C)(C)C)[Si](C)(C)C
InChI=1S/C26H36OSi/c1-25(2)14-15-26(3,4)23-17-21(12-13-22(23)25)24(28(5,6)7)16-19-8-10-20(18-27)11-9-19/h8-13,16-17,27H,14-15,18H2,1-7H3/b24-16-
XOUPZUPPVFVEFU-JLPGSUDCSA-N
CSID:7997650, http://www.chemspider.com/Chemical-Structure.7997650.html (accessed 00:11, Apr 27, 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) = 9.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 459.70 (Adapted Stein & Brown method) Melting Pt (deg C): 185.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.58E-011 (Modified Grain method) Subcooled liquid VP: 3.11E-009 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): 0.000183 log Kow used: 9.11 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.1503e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.40E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.858E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.11 (KowWin est) Log Kaw used: -4.008 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.118 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3515 Biowin2 (Non-Linear Model) : 0.0074 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0672 (months ) Biowin4 (Primary Survey Model) : 3.1038 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1154 Biowin6 (MITI Non-Linear Model): 0.0027 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1798 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): 4.15E-007 Pa (3.11E-009 mm Hg) Log Koa (Koawin est ): 13.118 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.23 Octanol/air (Koa) model: 3.22 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.996 Mackay model : 0.998 Octanol/air (Koa) model: 0.996 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 264.4293 E-12 cm3/molecule-sec Half-Life = 0.040 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 29.124 Min Ozone Reaction: OVERALL Ozone Rate Constant = 3.085000 E-17 cm3/molecule-sec Half-Life = 0.371 Days (at 7E11 mol/cm3) Half-Life = 8.915 Hrs Fraction sorbed to airborne particulates (phi): 0.997 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.837E+005 Log Koc: 5.766 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 = 1.271 (BCF = 18.65) log Kow used: 9.11 (estimated) Volatilization from Water: Henry LC: 2.4E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 485.4 hours (20.23 days) Half-Life from Model Lake : 5462 hours (227.6 days) Removal In Wastewater Treatment: Total removal: 94.03 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.26 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 0.00847 0.875 1000 Water 1.38 1.44e+003 1000 Soil 30.2 2.88e+003 1000 Sediment 68.4 1.3e+004 0 Persistence Time: 4.73e+003 hr
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