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CAS Num: 000821-41-0
SMILES : OCCCCC=C
CHEM : 5-HEXEN-1-OL
MOL FOR: C6 H12 O1
MOL WT : 100.16
------------------------------ EPI SUMMARY (v4.00) --------------------------
Physical Property Inputs:
Water Solubility (mg/L): ------
Vapor Pressure (mm Hg) : ------
Henry LC (atm-m3/mole) : ------
Log Kow (octanol-water): ------
Boiling Point (deg C) : ------
Melting Point (deg C) : ------
Log Octanol-Water Partition Coef (SRC):
Log Kow (KOWWIN v1.67 estimate) = 1.69
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 157.47 (Adapted Stein & Brown method)
Melting Pt (deg C): -39.22 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.887 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 118 (Mean VP of Antoine & Grain methods)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.371e+004
log Kow used: 1.69 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 7237.7 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.31E-005 atm-m3/mole (1.33E+000 Pa-m3/mole)
Group Method: 6.14E-006 atm-m3/mole (6.23E-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: 8.526E-006 atm-m3/mole (8.639E-001 Pa-m3/mole)
VP: 0.887 mm Hg (source: MPBPVP)
WS: 1.37E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.69 (KowWin est)
Log Kaw used: -3.271 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 4.961
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8586
Biowin2 (Non-Linear Model) : 0.9373
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.1378 (weeks )
Biowin4 (Primary Survey Model) : 3.8327 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7915
Biowin6 (MITI Non-Linear Model): 0.9200
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.8522
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): 106 Pa (0.792 mm Hg)
Log Koa (Koawin est ): 4.961
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.84E-008
Octanol/air (Koa) model: 2.24E-008
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.03E-006
Mackay model : 2.27E-006
Octanol/air (Koa) model: 1.8E-006
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 34.4358 E-12 cm3/molecule-sec
Half-Life = 0.311 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 3.727 Hrs
Ozone Reaction:
OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
Half-Life = 0.955 Days (at 7E11 mol/cm3)
Half-Life = 22.920 Hrs
Fraction sorbed to airborne particulates (phi):
1.65E-006 (Junge-Pankow, Mackay avg)
1.8E-006 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 11.53 L/kg (MCI method)
Log Koc: 1.062 (MCI method)
Koc : 28.08 L/kg (Kow method)
Log Koc: 1.448 (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 = 0.780 (BCF = 6.025 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9438 days (HL = 0.1138 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.682 (BCF = 4.814)
Log BAF Arnot-Gobas method (upper trophic) = 0.682 (BAF = 4.814)
log Kow used: 1.69 (estimated)
Volatilization from Water:
Henry LC: 1.31E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 45.75 hours (1.906 days)
Half-Life from Model Lake : 583 hours (24.29 days)
Removal In Wastewater Treatment:
Total removal: 2.76 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.94 percent
Total to Air: 0.73 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.818 5.62 1000
Water 39.4 360 1000
Soil 59.7 720 1000
Sediment 0.0912 3.24e+003 0
Persistence Time: 355 hr