- Double-bond stereo
(2Z)-2,3-Dihydroxy-2-propen-1-yl dihydrogen phosphate
C(/C(=C/O)/O)OP(=O)(O)O
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,4-5H,2H2,(H2,6,7,8)/b3-1-
ABUFTUOVWNZZSN-IWQZZHSRSA-N
CSID:392922, http://www.chemspider.com/Chemical-Structure.392922.html (accessed 21:39, Apr 19, 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) = -1.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 407.86 (Adapted Stein & Brown method) Melting Pt (deg C): 87.37 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.66E-009 (Modified Grain method) Subcooled liquid VP: 1.85E-008 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): 9.043e+005 log Kow used: -1.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.8985e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.69E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.153E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.37 (KowWin est) Log Kaw used: -13.959 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.589 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9840 Biowin2 (Non-Linear Model) : 0.9442 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1433 (weeks ) Biowin4 (Primary Survey Model) : 3.8613 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5841 Biowin6 (MITI Non-Linear Model): 0.5206 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0541 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.47E-006 Pa (1.85E-008 mm Hg) Log Koa (Koawin est ): 12.589 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22 Octanol/air (Koa) model: 0.953 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.978 Mackay model : 0.99 Octanol/air (Koa) model: 0.987 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 106.6070 E-12 cm3/molecule-sec Half-Life = 0.100 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.204 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 0.984 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 19.68 Log Koc: 1.294 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 = 0.500 (BCF = 3.162) log Kow used: -1.37 (estimated) Volatilization from Water: Henry LC: 2.69E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.838E+012 hours (1.183E+011 days) Half-Life from Model Lake : 3.096E+013 hours (1.29E+012 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 3.02e-007 2.19 1000 Water 39 360 1000 Soil 60.9 720 1000 Sediment 0.0713 3.24e+003 0 Persistence Time: 579 hr
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