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CAS Num: 009038-95-3
SMILES : OCCOCCOCCOC(C)COC(C)COC(C)COOCCCC
CHEM : Oxirane, methyl-, polymer with oxirane, monobutyl ether
MOL FOR: C19 H40 O8
MOL WT : 396.53
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.10
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 429.66 (Adapted Stein & Brown method)
Melting Pt (deg C): 158.87 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.05E-009 (Modified Grain method)
VP (Pa, 25 deg C) : 1.4E-007 (Modified Grain method)
Subcooled liquid VP: 2.46E-008 mm Hg (25 deg C, Mod-Grain method)
: 3.28E-006 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1188
log Kow used: 1.10 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 32124 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Peroxy Acids
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.26E-016 atm-m3/mole (5.33E-011 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: 4.611E-013 atm-m3/mole (4.673E-008 Pa-m3/mole)
VP: 1.05E-009 mm Hg (source: MPBPVP)
WS: 1.19E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.10 (KowWin est)
Log Kaw used: -13.667 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 14.767
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.9109
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7379 (weeks-months)
Biowin4 (Primary Survey Model) : 3.6255 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1436
Biowin6 (MITI Non-Linear Model): 0.0287
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.1391
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): 3.28E-006 Pa (2.46E-008 mm Hg)
Log Koa (Koawin est ): 14.767
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.915
Octanol/air (Koa) model: 144
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.971
Mackay model : 0.987
Octanol/air (Koa) model: 1
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 102.4116 E-12 cm3/molecule-sec
Half-Life = 0.104 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.253 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.979 (Junge-Pankow, Mackay avg)
1 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 56.33 L/kg (MCI method)
Log Koc: 1.751 (MCI method)
Koc : 4.668 L/kg (Kow method)
Log Koc: 0.669 (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 v3.00):
Log BCF from regression-based method = 0.395 (BCF = 2.486 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.5915 days (HL = 0.02561 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.188 (BCF = 1.54)
Log BAF Arnot-Gobas method (upper trophic) = 0.188 (BAF = 1.54)
log Kow used: 1.10 (estimated)
Volatilization from Water:
Henry LC: 5.26E-016 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.216E+012 hours (9.235E+010 days)
Half-Life from Model Lake : 2.418E+013 hours (1.007E+012 days)
Removal In Wastewater Treatment:
Total removal: 1.90 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.80 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 2.01e-007 2.51 1000
Water 20.7 900 1000
Soil 79.2 1.8e+003 1000
Sediment 0.095 8.1e+003 0
Persistence Time: 1.49e+003 hr