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CAS Number: 86414-45-1
SMILES : CC(CCCCCC)CCO
CHEM :
MOL FOR: C10 H22 O1
MOL WT : 158.29
------------------------------ 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) = 3.71
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 227.56 (Adapted Stein & Brown method)
Melting Pt (deg C): -2.83 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0136 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 1.81 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 151.8
log Kow used: 3.71 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 131.74 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 5.47E-005 atm-m3/mole (5.54E+000 Pa-m3/mole)
Group Method: 9.30E-005 atm-m3/mole (9.42E+000 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: 1.866E-005 atm-m3/mole (1.891E+000 Pa-m3/mole)
VP: 0.0136 mm Hg (source: MPBPVP)
WS: 152 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.71 (KowWin est)
Log Kaw used: -2.650 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.360
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9393
Biowin2 (Non-Linear Model) : 0.9764
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3077 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0179 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6984
Biowin6 (MITI Non-Linear Model): 0.8705
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.5081
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): 1.68 Pa (0.0126 mm Hg)
Log Koa (Koawin est ): 6.360
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.79E-006
Octanol/air (Koa) model: 5.62E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 6.45E-005
Mackay model : 0.000143
Octanol/air (Koa) model: 4.5E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 15.6445 E-12 cm3/molecule-sec
Half-Life = 0.684 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 8.204 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.000104 (Junge-Pankow, Mackay avg)
4.5E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 111.9 L/kg (MCI method)
Log Koc: 2.049 (MCI method)
Koc : 367.9 L/kg (Kow method)
Log Koc: 2.566 (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 = 2.118 (BCF = 131.1 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.3606 days (HL = 0.4359 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.139 (BCF = 137.7)
Log BAF Arnot-Gobas method (upper trophic) = 2.139 (BAF = 137.7)
log Kow used: 3.71 (estimated)
Volatilization from Water:
Henry LC: 5.47E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 14.75 hours
Half-Life from Model Lake : 266.4 hours (11.1 days)
Removal In Wastewater Treatment:
Total removal: 20.84 percent
Total biodegradation: 0.23 percent
Total sludge adsorption: 18.30 percent
Total to Air: 2.32 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.77 16.4 1000
Water 28 208 1000
Soil 69.1 416 1000
Sediment 0.151 1.87e+003 0
Persistence Time: 262 hr