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CAS Number: 929-56-6
SMILES : CCCCCCCCOC
CHEM : 1-methoxyoctane
MOL FOR: C9 H20 O1
MOL WT : 144.26
------------------------------ 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) = 3.50
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 165.43 (Adapted Stein & Brown method)
Melting Pt (deg C): -38.40 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 2.57 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 343 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 81.64
log Kow used: 3.50 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 191.11 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.27E-003 atm-m3/mole (6.35E+002 Pa-m3/mole)
Group Method: 5.35E-003 atm-m3/mole (5.42E+002 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: 5.975E-003 atm-m3/mole (6.055E+002 Pa-m3/mole)
VP: 2.57 mm Hg (source: MPBPVP)
WS: 81.6 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.50 (KowWin est)
Log Kaw used: -0.591 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.091
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4399
Biowin2 (Non-Linear Model) : 0.3485
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1700 (weeks )
Biowin4 (Primary Survey Model) : 3.8989 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6312
Biowin6 (MITI Non-Linear Model): 0.7857
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2839
Ready Biodegradability Prediction: YES
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 313 Pa (2.35 mm Hg)
Log Koa (Koawin est ): 4.091
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 9.57E-009
Octanol/air (Koa) model: 3.03E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 3.46E-007
Mackay model : 7.66E-007
Octanol/air (Koa) model: 2.42E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.8266 E-12 cm3/molecule-sec
Half-Life = 0.568 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.818 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
5.56E-007 (Junge-Pankow, Mackay avg)
2.42E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 195 L/kg (MCI method)
Log Koc: 2.290 (MCI method)
Koc : 589.5 L/kg (Kow method)
Log Koc: 2.770 (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 = 1.979 (BCF = 95.37 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1595 days (HL = 0.6927 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.194 (BCF = 156.2)
Log BAF Arnot-Gobas method (upper trophic) = 2.194 (BAF = 156.2)
log Kow used: 3.50 (estimated)
Volatilization from Water:
Henry LC: 0.00535 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.357 hours
Half-Life from Model Lake : 115.5 hours (4.813 days)
Removal In Wastewater Treatment:
Total removal: 70.29 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 8.89 percent
Total to Air: 61.32 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 8.96 13.6 1000
Water 45.7 360 1000
Soil 44.9 720 1000
Sediment 0.428 3.24e+003 0
Persistence Time: 139 hr