Levoglucosan – Diethyl Pyrocarbonate

More details:

Systematic name

(1R,2S,3S,4R,5R)-6,8-Dioxabicyclo<3.2.1>octane-2,3,4-triol (non-preferred name)

SMILES

C1Đang xem: Levoglucosan

H>(O1)O2)O)O)O CopyCopied

Cite this record

CSID:9587432, http://www.lize.vn/Chemical-Structure.9587432.html (accessed 12:38, Aug 2, 2021) CopyCopied

More More

Xem thêm: Cap Thả Thính Trung Thu – Caption Thả Thính Trung Thu

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -1.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 313.77 (Adapted Stein & Brown method) Melting Pt (deg C): 91.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.47E-007 (Modified Grain method) MP (exp database): 183 deg C VP (exp database): 7.50E-08 mm Hg at 25 deg C Subcooled liquid VP: 2.74E-006 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.81e+005 log Kow used: -1.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : 1.42E-013 atm-m3/mole Group Method: 1.51E-020 atm-m3/mole Henrys LC : 9.479E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) : Log Kow used: -1.25 (KowWin est) Log Kaw used: -11.236 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.986 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4518 Biowin2 (Non-Linear Model) : 0.0574 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3034 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9827 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7981 Biowin6 (MITI Non-Linear Model): 0.5578 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7971 Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 0.000365 Pa (2.74E-006 mm Hg) Log Koa (Koawin est ): 9.986 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00821 Octanol/air (Koa) model: 0.00238 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.229 Mackay model : 0.396 Octanol/air (Koa) model: 0.16 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.7705 E-12 cm3/molecule-sec Half-Life = 0.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.432 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.313 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -1.25 (estimated) Volatilization from Water: Henry LC: 1.42E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.25E+009 hours (2.188E+008 days) Half-Life from Model Lake : 5.727E+010 hours (2.386E+009 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 7.85e-006 4.86 1000 Water 34.4 208 1000 Soil 65.5 416 1000 Sediment 0.0596 1.87e+003 0 Persistence Time: 387 hr

Click to predict properties on the Chemicalize site

Search lize.vn:

Search Google:

Xem thêm: Tính Chất Vật Lý Của Amino Axit, Amino Axit Là Gì