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CAS Number: 31800-90-5
SMILES : CCCCCCCCCCCOCCOCCOCCOCCOCCOP(=O)(OCCOCCOCCOCCOCCOCCCCCCCCCCC)OCCOCCOC
COCCOCCOCCCCCCCCCCC
CHEM : Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.''-phosphinylidynet
ris[.omega.-(dodecyloxy)-
MOL FOR: C63 H129 O19 P1
MOL WT : 1221.69
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Physical Property Inputs:
------------------------------ EPI SUMMARY (v3.20) --------------------------
Water Solubility (mg/L): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.68 estimate) = 10.02
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): 2.06E-008 (Modified Grain method)
VP (Pa, 25 deg C) : 2.74E-006 (Modified Grain method)
Subcooled liquid VP: 8.76E-008 mm Hg (25 deg C, Mod-Grain method)
: 1.17E-005 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.728e-011
log Kow used: 10.02 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 2.4946e-006 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Esters (phosphate)
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 9.12E-031 atm-m3/mole (9.24E-026 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: 1.214E+003 atm-m3/mole (1.230E+008 Pa-m3/mole)
VP: 2.06E-008 mm Hg (source: MPBPVP)
WS: 2.73E-011 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 10.02 (KowWin est)
Log Kaw used: -28.428 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 38.448
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -4.4052
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.4181 (recalcitrant)
Biowin4 (Primary Survey Model) : 3.2116 (weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2206
Biowin6 (MITI Non-Linear Model): 0.0006
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -2.1282
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): 1.17E-005 Pa (8.76E-008 mm Hg)
Log Koa (Koawin est ): 38.448
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.257
Octanol/air (Koa) model: 6.89E+025
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.903
Mackay model : 0.954
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 326.5716 E-12 cm3/molecule-sec
Half-Life = 0.033 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 23.582 Min
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.928 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1E+010 L/kg (MCI method)
Log Koc: 14.473 (MCI method)
Koc : 8.642E+005 L/kg (Kow method)
Log Koc: 5.937 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Phosphorus esters hydrolysis rates available (see Full Output)
Bioaccumulation Estimates (BCFBAF v3.01):
Log BCF from regression-based method = 1.225 (BCF = 16.79 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.0476 days (HL = 1.116 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.044 (BCF = 1.107)
Log BAF Arnot-Gobas method (upper trophic) = 0.223 (BAF = 1.672)
log Kow used: 10.02 (estimated)
Volatilization from Water:
Henry LC: 9.12E-031 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.244E+027 hours (9.35E+025 days)
Half-Life from Model Lake : 2.448E+028 hours (1.02E+027 days)
Removal In Wastewater Treatment:
Total removal: 94.04 percent
Total biodegradation: 0.78 percent
Total sludge adsorption: 93.26 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 8.98e-024 0.786 1000
Water 0.564 4.32e+003 1000
Soil 52.3 8.64e+003 1000
Sediment 47.1 3.89e+004 0
Persistence Time: 1.51e+004 hr