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CAS Number: 67881-99-6
SMILES : CC(=C)C(=O)OCCOP(=O)(O)OCCN(H)(C)(C)C
CHEM :
MOL FOR: C11 H24 N1 O6 P1
MOL WT : 297.29
------------------------------ EPI SUMMARY (v4.11) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = -1.00
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)
Melting Pt (deg C): 90.27 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.78E-010 (Modified Grain method)
VP (Pa, 25 deg C) : 2.38E-008 (Modified Grain method)
Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)
: 1.01E-007 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 9.047e+004
log Kow used: -1.00 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7897.7 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.65E-024 atm-m3/mole (9.78E-019 Pa-m3/mole)
Group Method: Incomplete
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 7.696E-016 atm-m3/mole (7.798E-011 Pa-m3/mole)
VP: 1.78E-010 mm Hg (source: MPBPVP)
WS: 9.05E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: -1.00 (KowWin est)
Log Kaw used: -21.404 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 20.404
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7802
Biowin2 (Non-Linear Model) : 0.9462
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6824 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6478 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3739
Biowin6 (MITI Non-Linear Model): 0.1820
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2089
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): 1.01E-007 Pa (7.58E-010 mm Hg)
Log Koa (Koawin est ): 20.404
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 29.7
Octanol/air (Koa) model: 6.22E+007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.999
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 81.6842 E-12 cm3/molecule-sec
Half-Life = 0.131 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.571 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):
0.999 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 25.52 L/kg (MCI method)
Log Koc: 1.407 (MCI method)
Koc : 2.102 L/kg (Kow method)
Log Koc: 0.323 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 7.000E-003 L/mol-sec
Kb Half-Life at pH 8: 3.138 years
Kb Half-Life at pH 7: 31.376 years
(Total Kb applies only to esters, carbmates, alkyl halides)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.0916 days (HL = 0.008099 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8956)
Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8956)
log Kow used: -1.00 (estimated)
Volatilization from Water:
Henry LC: 9.65E-024 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.046E+020 hours (4.359E+018 days)
Half-Life from Model Lake : 1.141E+021 hours (4.755E+019 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 1.14e-013 2.78 1000
Water 27 900 1000
Soil 72.9 1.8e+003 1000
Sediment 0.0843 8.1e+003 0
Persistence Time: 1.32e+003 hr