Try beta.chemspider
- Double-bond stereo
(3E)-3-Decen-1-yn-1-yl(trimethyl)silane
C(#C[Si](C)(C)C)/C=C/CCCCCC
InChI=1S/C13H24Si/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h10-11H,5-9H2,1-4H3/b11-10+
XWESYLRNVRAHBK-ZHACJKMWSA-N
CSID:9107933, http://www.chemspider.com/Chemical-Structure.9107933.html (accessed 18:39, Apr 25, 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) = 6.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 243.37 (Adapted Stein & Brown method) Melting Pt (deg C): 42.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0257 (Modified Grain method) Subcooled liquid VP: 0.0374 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): 0.1977 log Kow used: 6.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0082778 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.565E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.21 (KowWin est) Log Kaw used: 0.930 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.280 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7568 Biowin2 (Non-Linear Model) : 0.8691 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0369 (weeks ) Biowin4 (Primary Survey Model) : 3.8161 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3532 Biowin6 (MITI Non-Linear Model): 0.2299 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1830 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): 4.99 Pa (0.0374 mm Hg) Log Koa (Koawin est ): 5.280 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.02E-007 Octanol/air (Koa) model: 4.68E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.17E-005 Mackay model : 4.81E-005 Octanol/air (Koa) model: 3.74E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 103.4229 E-12 cm3/molecule-sec [Cis-isomer] OVERALL OH Rate Constant = 113.3029 E-12 cm3/molecule-sec [Trans-isomer] Half-Life = 1.241 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer] Half-Life = 1.133 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer] Ozone Reaction: OVERALL Ozone Rate Constant = 0.571750 E-17 cm3/molecule-sec [Cis-] OVERALL Ozone Rate Constant = 1.140500 E-17 cm3/molecule-sec [Trans-] Half-Life = 2.004 Days (at 7E11 mol/cm3) [Cis-isomer] Half-Life = 1.005 Days (at 7E11 mol/cm3) [Trans-isomer] Fraction sorbed to airborne particulates (phi): 3.49E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.294E+004 Log Koc: 4.112 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 = 4.080 (BCF = 1.203e+004) log Kow used: 6.21 (estimated) Volatilization from Water: Henry LC: 0.208 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.477 hours Half-Life from Model Lake : 137.2 hours (5.715 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.85 percent Total biodegradation: 0.35 percent Total sludge adsorption: 68.98 percent Total to Air: 28.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.155 2.36 1000 Water 5.98 360 1000 Soil 37.3 720 1000 Sediment 56.5 3.24e+003 0 Persistence Time: 879 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight