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 Num: 067715-79-1
SMILES : O(C(OCC(OC(OCC)C)C)C)CC
CHEM : 3,5,8,10-Tetraoxadodecane, 4,6,9-trimethyl-
MOL FOR: C11 H24 O4
MOL WT : 220.31
------------------------------ 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) = 1.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 231.35 (Adapted Stein & Brown method)
Melting Pt (deg C): 2.96 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.113 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 15 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1782
log Kow used: 1.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 24918 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.79E-008 atm-m3/mole (3.84E-003 Pa-m3/mole)
Group Method: 5.48E-008 atm-m3/mole (5.55E-003 Pa-m3/mole)
For Henry LC Comparison Purposes:
User-Entered Henry LC: not entered
Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
HLC: 1.838E-005 atm-m3/mole (1.863E+000 Pa-m3/mole)
VP: 0.113 mm Hg (source: MPBPVP)
WS: 1.78E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.50 (KowWin est)
Log Kaw used: -5.810 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.310
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.7468
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6776 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4909 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0609
Biowin6 (MITI Non-Linear Model): 0.0401
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -1.0104
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): 14.3 Pa (0.107 mm Hg)
Log Koa (Koawin est ): 7.310
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.1E-007
Octanol/air (Koa) model: 5.01E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 7.6E-006
Mackay model : 1.68E-005
Octanol/air (Koa) model: 0.000401
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 48.6131 E-12 cm3/molecule-sec
Half-Life = 0.220 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 2.640 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.22E-005 (Junge-Pankow, Mackay avg)
0.000401 (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 : 24.68 L/kg (Kow method)
Log Koc: 1.392 (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 = 0.659 (BCF = 4.563 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9619 days (HL = 0.1092 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.546 (BCF = 3.514)
Log BAF Arnot-Gobas method (upper trophic) = 0.546 (BAF = 3.514)
log Kow used: 1.50 (estimated)
Volatilization from Water:
Henry LC: 3.79E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.293E+004 hours (955.5 days)
Half-Life from Model Lake : 2.503E+005 hours (1.043E+004 days)
Removal In Wastewater Treatment:
Total removal: 1.98 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.88 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 0.207 5.28 1000
Water 39.6 900 1000
Soil 60.1 1.8e+003 1000
Sediment 0.0945 8.1e+003 0
Persistence Time: 816 hr