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CAS Number: 68154-97-2
SMILES : CCCCCCCCCCOCC
CHEM : Alcohols, C10-12, ethoxylated propoxylated
MOL FOR: C12 H26 O1
MOL WT : 186.34
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 4.98
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 225.63 (Adapted Stein & Brown method)
Melting Pt (deg C): -3.92 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.15 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 19.9 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.874
log Kow used: 4.98 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 6.0449 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.47E-002 atm-m3/mole (1.49E+003 Pa-m3/mole)
Group Method: 1.44E-002 atm-m3/mole (1.46E+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: 1.280E-002 atm-m3/mole (1.297E+003 Pa-m3/mole)
VP: 0.15 mm Hg (source: MPBPVP)
WS: 2.87 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.98 (KowWin est)
Log Kaw used: -0.221 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.201
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.4199
Biowin2 (Non-Linear Model) : 0.2274
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0771 (weeks )
Biowin4 (Primary Survey Model) : 3.8382 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6542
Biowin6 (MITI Non-Linear Model): 0.7978
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3619
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): 18.8 Pa (0.141 mm Hg)
Log Koa (Koawin est ): 5.201
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.6E-007
Octanol/air (Koa) model: 3.9E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.76E-006
Mackay model : 1.28E-005
Octanol/air (Koa) model: 3.12E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 26.9965 E-12 cm3/molecule-sec
Half-Life = 0.396 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 4.754 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.26E-006 (Junge-Pankow, Mackay avg)
3.12E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1180 L/kg (MCI method)
Log Koc: 3.072 (MCI method)
Koc : 3882 L/kg (Kow method)
Log Koc: 3.589 (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 = 1.577 (BCF = 37.77 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.2580 days (HL = 1.811 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.839 (BCF = 690.9)
Log BAF Arnot-Gobas method (upper trophic) = 2.846 (BAF = 702)
log Kow used: 4.98 (estimated)
Volatilization from Water:
Henry LC: 0.0144 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.448 hours
Half-Life from Model Lake : 130.3 hours (5.428 days)
Removal In Wastewater Treatment:
Total removal: 91.95 percent
Total biodegradation: 0.33 percent
Total sludge adsorption: 57.52 percent
Total to Air: 34.10 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 4.67 9.51 1000
Water 33.8 360 1000
Soil 60.1 720 1000
Sediment 1.37 3.24e+003 0
Persistence Time: 184 hr