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CAS Number: 25723-16-4
SMILES : OCC(C)OC(C)COCC(C)OC(C)COCC(C)OCC(CC)(COC(C)COCC(C)OC(C)COCC(C)OC(C)C
O)COCC(C)OC(C)COCC(C)OC(C)COCC(C)O
CHEM : Poly[oxy(methyl-1,2-ethanediyl)], -hydro- -hydroxy-, etherwith 2-ethy
l-2-(hydroxymethyl)-1,3-propanediol (3:1)
MOL FOR: C51 H104 O18
MOL WT : 1005.39
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) = 1.34
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 885.04 (Adapted Stein & Brown method)
Melting Pt (deg C): 349.84 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.6E-028 (Modified Grain method)
VP (Pa, 25 deg C) : 2.14E-026 (Modified Grain method)
Subcooled liquid VP: 8.21E-025 mm Hg (25 deg C, Mod-Grain method)
: 1.09E-022 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 0.02175
log Kow used: 1.34 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1e+006 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 7.75E-034 atm-m3/mole (7.85E-029 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: 9.732E-027 atm-m3/mole (9.861E-022 Pa-m3/mole)
VP: 1.6E-028 mm Hg (source: MPBPVP)
WS: 0.0217 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.34 (KowWin est)
Log Kaw used: -31.499 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 32.839
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -4.6492
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.1151 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.4860 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -1.5204
Biowin6 (MITI Non-Linear Model): 0.0000
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -6.2257
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): 1.09E-022 Pa (8.21E-025 mm Hg)
Log Koa (Koawin est ): 32.839
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.74E+016
Octanol/air (Koa) model: 1.69E+020
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 = 336.5450 E-12 cm3/molecule-sec
Half-Life = 0.032 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 22.883 Min
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 : 7.305E+008 L/kg (MCI method)
Log Koc: 8.864 (MCI method)
Koc : 1.619 L/kg (Kow method)
Log Koc: 0.209 (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 = 0.549 (BCF = 3.541 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -2.7211 days (HL = 0.0019 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.122 (BCF = 1.324)
Log BAF Arnot-Gobas method (upper trophic) = 0.122 (BAF = 1.324)
log Kow used: 1.34 (estimated)
Volatilization from Water:
Henry LC: 7.75E-034 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.395E+030 hours (9.981E+028 days)
Half-Life from Model Lake : 2.613E+031 hours (1.089E+030 days)
Removal In Wastewater Treatment:
Total removal: 1.93 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.84 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 2.41e-009 0.763 1000
Water 0.548 4.32e+003 1000
Soil 52.1 8.64e+003 1000
Sediment 47.4 3.89e+004 0
Persistence Time: 1.51e+004 hr