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CAS Num: 005669-09-0
SMILES : CC(C)COC(C)OCC(C)C
CHEM :
MOL FOR: C10 H22 O2
MOL WT : 174.29
------------------------------ 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) = 3.02
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 170.34 (Adapted Stein & Brown method)
Melting Pt (deg C): -42.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1.97 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 263 (Mean VP of Antoine & Grain methods)
BP (exp database): 171.3 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 154
log Kow used: 3.02 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1066.9 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.68E-004 atm-m3/mole (3.72E+001 Pa-m3/mole)
Group Method: 5.73E-004 atm-m3/mole (5.81E+001 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: 2.934E-003 atm-m3/mole (2.972E+002 Pa-m3/mole)
VP: 1.97 mm Hg (source: MPBPVP)
WS: 154 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.02 (KowWin est)
Log Kaw used: -1.823 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.843
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0301
Biowin2 (Non-Linear Model) : 0.0018
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7967 (weeks )
Biowin4 (Primary Survey Model) : 3.5768 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.1455
Biowin6 (MITI Non-Linear Model): 0.1127
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5218
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): 240 Pa (1.8 mm Hg)
Log Koa (Koawin est ): 4.843
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.25E-008
Octanol/air (Koa) model: 1.71E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.51E-007
Mackay model : 1E-006
Octanol/air (Koa) model: 1.37E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 35.5324 E-12 cm3/molecule-sec
Half-Life = 0.301 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.612 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
7.26E-007 (Junge-Pankow, Mackay avg)
1.37E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 54.21 L/kg (MCI method)
Log Koc: 1.734 (MCI method)
Koc : 259.6 L/kg (Kow method)
Log Koc: 2.414 (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 = 1.661 (BCF = 45.83 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4014 days (HL = 0.3968 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.819 (BCF = 65.99)
Log BAF Arnot-Gobas method (upper trophic) = 1.819 (BAF = 65.99)
log Kow used: 3.02 (estimated)
Volatilization from Water:
Henry LC: 0.000368 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 3.448 hours
Half-Life from Model Lake : 148.3 hours (6.179 days)
Removal In Wastewater Treatment:
Total removal: 19.11 percent
Total biodegradation: 0.11 percent
Total sludge adsorption: 5.28 percent
Total to Air: 13.71 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.32 7.22 1000
Water 32.8 360 1000
Soil 64.7 720 1000
Sediment 0.133 3.24e+003 0
Persistence Time: 247 hr