Try beta.chemspider
N,N-Dimethyl-8-[(triphenylsilyl)ethynyl]-1-naphthalenamine
C(#C[Si](c1ccccc1)(c2ccccc2)c3ccccc3)c5c4c(N(C)C)cccc4ccc5
InChI=1S/C32H27NSi/c1-33(2)31-23-13-16-26-14-12-15-27(32(26)31)24-25-34(28-17-6-3-7-18-28,29-19-8-4-9-20-29)30-21-10-5-11-22-30/h3-23H,1-2H3
LSFZXMOSLJBBJP-UHFFFAOYSA-N
CSID:9038658, http://www.chemspider.com/Chemical-Structure.9038658.html (accessed 00:56, Jul 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) = 9.59 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 575.68 (Adapted Stein & Brown method) Melting Pt (deg C): 247.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.2E-012 (Modified Grain method) Subcooled liquid VP: 3.17E-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): 9.207e-006 log Kow used: 9.59 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3792e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.14E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.780E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 9.59 (KowWin est) Log Kaw used: -7.535 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.125 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7106 Biowin2 (Non-Linear Model) : 0.4356 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0079 (months ) Biowin4 (Primary Survey Model) : 2.9199 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5489 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7474 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): 4.23E-008 Pa (3.17E-010 mm Hg) Log Koa (Koawin est ): 17.125 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 71 Octanol/air (Koa) model: 3.27E+004 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 = 228.5110 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.562 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.036000 E-17 cm3/molecule-sec Half-Life = 31.833 Days (at 7E11 mol/cm3) 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 : 1.794E+009 Log Koc: 9.254 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 = 1.268 (BCF = 18.54) log Kow used: 9.59 (estimated) Volatilization from Water: Henry LC: 7.14E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.747E+006 hours (7.277E+004 days) Half-Life from Model Lake : 1.905E+007 hours (7.939E+005 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 0.0107 1.12 1000 Water 1.38 1.44e+003 1000 Soil 30.4 2.88e+003 1000 Sediment 68.2 1.3e+004 0 Persistence Time: 4.75e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight