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CAS Number: 127248-84-4
SMILES : CCC(OC)OCC
CHEM : 1-ethoxy-1-methoxypropane
MOL FOR: C6 H14 O2
MOL WT : 118.18
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Vapor Pressure (mm Hg) : ------
Water Solubility (mg/L): ------
Henry LC (atm-m3/mole) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.20
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 107.53 (Adapted Stein & Brown method)
Melting Pt (deg C): -68.60 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 31.7 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 4.22E+003 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 9533
log Kow used: 1.20 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 36224 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.18E-004 atm-m3/mole (1.20E+001 Pa-m3/mole)
Group Method: 1.04E-004 atm-m3/mole (1.06E+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: 5.171E-004 atm-m3/mole (5.239E+001 Pa-m3/mole)
VP: 31.7 mm Hg (source: MPBPVP)
WS: 9.53E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.20 (KowWin est)
Log Kaw used: -2.317 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.517
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.0034
Biowin2 (Non-Linear Model) : 0.0040
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9207 (weeks )
Biowin4 (Primary Survey Model) : 3.6578 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.4129
Biowin6 (MITI Non-Linear Model): 0.4298
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0310
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): 4E+003 Pa (30 mm Hg)
Log Koa (Koawin est ): 3.517
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 7.5E-010
Octanol/air (Koa) model: 8.07E-010
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 2.71E-008
Mackay model : 6E-008
Octanol/air (Koa) model: 6.46E-008
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 17.0526 E-12 cm3/molecule-sec
Half-Life = 0.627 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 7.527 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
4.35E-008 (Junge-Pankow, Mackay avg)
6.46E-008 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 7.27 L/kg (MCI method)
Log Koc: 0.862 (MCI method)
Koc : 25.57 L/kg (Kow method)
Log Koc: 1.408 (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 = 0.462 (BCF = 2.897 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9238 days (HL = 0.1192 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.356 (BCF = 2.272)
Log BAF Arnot-Gobas method (upper trophic) = 0.356 (BAF = 2.272)
log Kow used: 1.20 (estimated)
Volatilization from Water:
Henry LC: 0.000118 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.503 hours
Half-Life from Model Lake : 162.1 hours (6.754 days)
Removal In Wastewater Treatment:
Total removal: 7.46 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.73 percent
Total to Air: 5.64 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.06 15.1 1000
Water 43.9 360 1000
Soil 52 720 1000
Sediment 0.0937 3.24e+003 0
Persistence Time: 246 hr