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CAS Number: 52628-03-2
SMILES : OP(=O)(O)OCCOC(=O)C(=C)C
CHEM : 2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, phosphate
MOL FOR: C6 H11 O6 P1
MOL WT : 210.12
------------------------------ EPI SUMMARY (v4.10) --------------------------
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) = 0.22
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 360.43 (Adapted Stein & Brown method)
Melting Pt (deg C): 85.90 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.19E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 4.25E-005 (Modified Grain method)
Subcooled liquid VP: 1.22E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.000163 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.518e+004
log Kow used: 0.22 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.4183e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Methacrylates
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.35E-015 atm-m3/mole (6.44E-010 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: 3.503E-012 atm-m3/mole (3.549E-007 Pa-m3/mole)
VP: 3.19E-007 mm Hg (source: MPBPVP)
WS: 2.52E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.22 (KowWin est)
Log Kaw used: -12.586 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 12.806
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8217
Biowin2 (Non-Linear Model) : 0.9838
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8750 (weeks )
Biowin4 (Primary Survey Model) : 3.7735 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5424
Biowin6 (MITI Non-Linear Model): 0.4604
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8333
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): 0.000163 Pa (1.22E-006 mm Hg)
Log Koa (Koawin est ): 12.806
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.0184
Octanol/air (Koa) model: 1.57
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.4
Mackay model : 0.596
Octanol/air (Koa) model: 0.992
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 43.7949 E-12 cm3/molecule-sec
Half-Life = 0.244 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.931 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):
0.498 (Junge-Pankow, Mackay avg)
0.992 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 10 L/kg (MCI method)
Log Koc: 1.000 (MCI method)
Koc : 12.15 L/kg (Kow method)
Log Koc: 1.085 (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) = -2.2777 days (HL = 0.005276 days)
Log BCF Arnot-Gobas method (upper trophic) = -0.034 (BCF = 0.9248)
Log BAF Arnot-Gobas method (upper trophic) = -0.034 (BAF = 0.9248)
log Kow used: 0.22 (estimated)
Volatilization from Water:
Henry LC: 6.35E-015 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.337E+011 hours (5.569E+009 days)
Half-Life from Model Lake : 1.458E+012 hours (6.075E+010 days)
Removal In Wastewater Treatment:
Total removal: 1.85 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 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 2.31e-007 4.72 1000
Water 30.6 360 1000
Soil 69.4 720 1000
Sediment 0.0688 3.24e+003 0
Persistence Time: 640 hr