This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 9004-80-2
SMILES : CCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(O)O
CHEM : Poly(oxy-1,2-ethanediyl), -phosphono- -(decyloxy)-
MOL FOR: C20 H43 O9 P1
MOL WT : 458.53
------------------------------ 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) = 2.33
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): 6.06E-011 (Modified Grain method)
VP (Pa, 25 deg C) : 8.07E-009 (Modified Grain method)
Subcooled liquid VP: 2.58E-010 mm Hg (25 deg C, Mod-Grain method)
: 3.44E-008 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 13.36
log Kow used: 2.33 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2421.6 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.82E-020 atm-m3/mole (2.86E-015 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: 2.737E-012 atm-m3/mole (2.773E-007 Pa-m3/mole)
VP: 6.06E-011 mm Hg (source: MPBPVP)
WS: 13.4 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.33 (KowWin est)
Log Kaw used: -17.938 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 20.268
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -1.0991
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.4409 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4066 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2947
Biowin6 (MITI Non-Linear Model): 0.0445
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.3537
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): 3.44E-008 Pa (2.58E-010 mm Hg)
Log Koa (Koawin est ): 20.268
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 87.2
Octanol/air (Koa) model: 4.55E+007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1
Mackay model : 1
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 107.7241 E-12 cm3/molecule-sec
Half-Life = 0.099 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.191 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 217.9 L/kg (MCI method)
Log Koc: 2.338 (MCI method)
Koc : 73.16 L/kg (Kow method)
Log Koc: 1.864 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.207 (BCF = 16.11 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.3032 days (HL = 0.04975 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.992 (BCF = 9.815)
Log BAF Arnot-Gobas method (upper trophic) = 0.992 (BAF = 9.815)
log Kow used: 2.33 (estimated)
Volatilization from Water:
Henry LC: 2.82E-020 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4.446E+016 hours (1.852E+015 days)
Half-Life from Model Lake : 4.85E+017 hours (2.021E+016 days)
Removal In Wastewater Treatment:
Total removal: 2.69 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.60 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 7.52e-010 2.38 1000
Water 14.2 900 1000
Soil 85.6 1.8e+003 1000
Sediment 0.18 8.1e+003 0
Persistence Time: 1.72e+003 hr