Try beta.chemspider
- Double-bond stereo
- 3 of 3 defined stereocentres
(5S,6S,8S)-6-{[Dimethyl(2-methyl-2-propanyl)silyl]oxy}-8,10,10,11,11-pentamethyl-5-[(1E)-2-methyl-1-buten-3-yn-1-yl]-2,4,9-trioxa-10-siladodecane
O([Si](C)(C(C)(C)C)C)[C@H](C[C@H](O[Si](C)(C(C)(C)C)C)[C@@H](OCOC)\C=C(\C#C)C)C
InChI=1S/C24H48O4Si2/c1-15-19(2)16-21(26-18-25-10)22(28-30(13,14)24(7,8)9)17-20(3)27-29(11,12)23(4,5)6/h1,16,20-22H,17-18H2,2-14H3/b19-16+/t20-,21-,22-/m0/s1
TZKPKIRKDGLGSF-IKLGXSEVSA-N
CSID:9743520, http://www.chemspider.com/Chemical-Structure.9743520.html (accessed 20:38, Jul 5, 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) = 7.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 384.82 (Adapted Stein & Brown method) Melting Pt (deg C): 127.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.82E-006 (Modified Grain method) Subcooled liquid VP: 1.94E-005 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): 0.0002849 log Kow used: 7.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.4597 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.67E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.840E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.82 (KowWin est) Log Kaw used: -2.962 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.782 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.5325 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7481 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8623 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.5504 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.9004 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): 0.00259 Pa (1.94E-005 mm Hg) Log Koa (Koawin est ): 10.782 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00116 Octanol/air (Koa) model: 0.0149 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0402 Mackay model : 0.0849 Octanol/air (Koa) model: 0.543 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 173.5017 E-12 cm3/molecule-sec Half-Life = 0.062 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.740 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 7.396749 E-17 cm3/molecule-sec Half-Life = 0.155 Days (at 7E11 mol/cm3) Half-Life = 3.718 Hrs Fraction sorbed to airborne particulates (phi): 0.0626 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.609E+005 Log Koc: 5.207 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 = 3.691 (BCF = 4910) log Kow used: 7.82 (estimated) Volatilization from Water: Henry LC: 2.67E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 49.05 hours (2.044 days) Half-Life from Model Lake : 714.3 hours (29.76 days) Removal In Wastewater Treatment: Total removal: 94.01 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 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 0.00473 1.06 1000 Water 0.766 4.32e+003 1000 Soil 39.3 8.64e+003 1000 Sediment 59.9 3.89e+004 0 Persistence Time: 1.06e+004 hr
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