Try beta.chemspider
[3-(Difluoromethylene)-1-nonen-4-yn-2-yl](triisopropyl)silane
F/C(F)=C(/C#CCCCC)\C(=C)[Si](C(C)C)(C(C)C)C(C)C
InChI=1S/C19H32F2Si/c1-9-10-11-12-13-18(19(20)21)17(8)22(14(2)3,15(4)5)16(6)7/h14-16H,8-11H2,1-7H3
RATHKRQYZZXUTC-UHFFFAOYSA-N
CSID:9534259, http://www.chemspider.com/Chemical-Structure.9534259.html (accessed 21:17, May 1, 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) = 8.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.16 (Adapted Stein & Brown method) Melting Pt (deg C): 56.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00098 (Modified Grain method) Subcooled liquid VP: 0.00194 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): 0.0001898 log Kow used: 8.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.8116e-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 : 2.76E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.219E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.96 (KowWin est) Log Kaw used: 2.052 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.908 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7005 Biowin2 (Non-Linear Model) : 0.5536 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7759 (weeks ) Biowin4 (Primary Survey Model) : 3.6457 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2131 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6053 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): 0.259 Pa (0.00194 mm Hg) Log Koa (Koawin est ): 6.908 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.16E-005 Octanol/air (Koa) model: 1.99E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000419 Mackay model : 0.000927 Octanol/air (Koa) model: 0.000159 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 49.1395 E-12 cm3/molecule-sec Half-Life = 0.218 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.612 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.132600 E-17 cm3/molecule-sec Half-Life = 8.643 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 0.000673 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.026E+006 Log Koc: 6.011 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 = 2.121 (BCF = 132) log Kow used: 8.96 (estimated) Volatilization from Water: Henry LC: 2.76 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.844 hours Half-Life from Model Lake : 171.6 hours (7.152 days) Removal In Wastewater Treatment: Total removal: 94.35 percent Total biodegradation: 0.75 percent Total sludge adsorption: 91.48 percent Total to Air: 2.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.185 5.1 1000 Water 3.75 360 1000 Soil 27.9 720 1000 Sediment 68.1 3.24e+003 0 Persistence Time: 1.24e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight