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CAS Number: 68987-81-5
SMILES : CCCCCCOCC
CHEM : Alcohols, C6-10, ethoxylated propoxylated
MOL FOR: C8 H18 O1
MOL WT : 130.23
------------------------------ EPI SUMMARY (v4.10) --------------------------
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 v1.68 estimate) = 3.01
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 143.56 (Adapted Stein & Brown method)
Melting Pt (deg C): -50.42 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 6.99 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 931 (Mean VP of Antoine & Grain methods)
BP (exp database): 143 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 244.9
log Kow used: 3.01 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 594.12 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 4.72E-003 atm-m3/mole (4.78E+002 Pa-m3/mole)
Group Method: 3.62E-003 atm-m3/mole (3.67E+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: 4.891E-003 atm-m3/mole (4.956E+002 Pa-m3/mole)
VP: 6.99 mm Hg (source: MPBPVP)
WS: 245 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.01 (KowWin est)
Log Kaw used: -0.715 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 3.725
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4466
Biowin2 (Non-Linear Model) : 0.3950
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.2010 (weeks )
Biowin4 (Primary Survey Model) : 3.9192 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6235
Biowin6 (MITI Non-Linear Model): 0.7815
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2579
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): 859 Pa (6.44 mm Hg)
Log Koa (Koawin est ): 3.725
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.49E-009
Octanol/air (Koa) model: 1.3E-009
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.26E-007
Mackay model : 2.8E-007
Octanol/air (Koa) model: 1.04E-007
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.3443 E-12 cm3/molecule-sec
Half-Life = 0.501 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.013 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.03E-007 (Junge-Pankow, Mackay avg)
1.04E-007 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 107 L/kg (MCI method)
Log Koc: 2.029 (MCI method)
Koc : 315.8 L/kg (Kow method)
Log Koc: 2.499 (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 v3.01):
Log BCF from regression-based method = 1.655 (BCF = 45.22 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2986 days (HL = 0.5028 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.853 (BCF = 71.36)
Log BAF Arnot-Gobas method (upper trophic) = 1.853 (BAF = 71.36)
log Kow used: 3.01 (estimated)
Volatilization from Water:
Henry LC: 0.00362 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.349 hours
Half-Life from Model Lake : 110.4 hours (4.6 days)
Removal In Wastewater Treatment:
Total removal: 60.41 percent
Total biodegradation: 0.07 percent
Total sludge adsorption: 3.85 percent
Total to Air: 56.50 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 8.64 12 1000
Water 49.4 360 1000
Soil 41.7 720 1000
Sediment 0.302 3.24e+003 0
Persistence Time: 130 hr