This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Num: 000111-87-5
SMILES : OCCCCCCCC
CHEM : 1-Octanol
MOL FOR: C8 H18 O1
MOL WT : 130.23
------------------------------ 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) = 2.81
Log Kow (Exper. database match) = 3.00
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 200.67 (Adapted Stein & Brown method)
Melting Pt (deg C): -14.46 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.099 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 13.2 (Mean VP of Antoine & Grain methods)
MP (exp database): -15.5 deg C
BP (exp database): 195.1 deg C
VP (exp database): 7.94E-02 mm Hg (1.06E+001 Pa) at 25 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 814
log Kow used: 3.00 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 540 mg/L (25 deg C)
Exper. Ref: BARTON,AFM (1984)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 766.96 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.10E-005 atm-m3/mole (3.14E+000 Pa-m3/mole)
Group Method: 3.88E-005 atm-m3/mole (3.93E+000 Pa-m3/mole)
Exper Database: 2.45E-05 atm-m3/mole (2.48E+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: 2.084E-005 atm-m3/mole (2.112E+000 Pa-m3/mole)
VP: 0.099 mm Hg (source: MPBPVP)
WS: 814 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.00 (exp database)
Log Kaw used: -2.999 (exp database)
Log Koa (KOAWIN v1.10 estimate): 5.999
Log Koa (experimental database): 6.030
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9527
Biowin2 (Non-Linear Model) : 0.9840
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.3697 (days-weeks )
Biowin4 (Primary Survey Model) : 4.0584 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.8322
Biowin6 (MITI Non-Linear Model): 0.9425
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.7535
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): 10.6 Pa (0.0794 mm Hg)
Log Koa (Exp database): 6.030
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.83E-007
Octanol/air (Koa) model: 2.63E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.02E-005
Mackay model : 2.27E-005
Octanol/air (Koa) model: 2.1E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.5422 E-12 cm3/molecule-sec
Half-Life = 0.853 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.234 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.65E-005 (Junge-Pankow, Mackay avg)
2.1E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 38.28 L/kg (MCI method)
Log Koc: 1.583 (MCI method)
Koc : 149 L/kg (Kow method)
Log Koc: 2.173 (Kow method)
Experimental Log Koc: 1.56 (database)
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 = 1.646 (BCF = 44.3 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.5620 days (HL = 0.2741 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.734 (BCF = 54.2)
Log BAF Arnot-Gobas method (upper trophic) = 1.734 (BAF = 54.2)
log Kow used: 3.00 (expkow database)
Volatilization from Water:
Henry LC: 2.45E-005 atm-m3/mole (Henry experimental database)
Half-Life from Model River: 28.44 hours (1.185 days)
Half-Life from Model Lake : 405.9 hours (16.91 days)
Removal In Wastewater Treatment:
Total removal: 6.92 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.52 percent
Total to Air: 1.28 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.93 17.8 1000
Water 31.7 208 1000
Soil 65.3 416 1000
Sediment 0.0984 1.87e+003 0
Persistence Time: 257 hr