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CAS Num: 000112-92-5

SMILES : OCCCCCCCCCCCCCCCCCC

CHEM : 1-Octadecanol

MOL FOR: C18 H38 O1

MOL WT : 270.50

------------------------------ 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) = 7.72

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 354.66 (Adapted Stein & Brown method)

Melting Pt (deg C): 86.85 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.83E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000244 (Modified Grain method)

MP (exp database): 59.5 deg C

BP (exp database): 210 @ 15 mm Hg deg C

VP (exp database): 2.70E-06 mm Hg (3.60E-004 Pa) at 25 deg C

Subcooled liquid VP: 5.92E-006 mm Hg (25 deg C, exp database VP )

: 0.00079 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 0.0151

log Kow used: 7.72 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 0.0011 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & VALVANI,SC (1980)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0067926 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 5.27E-004 atm-m3/mole (5.34E+001 Pa-m3/mole)

Group Method: 1.23E-003 atm-m3/mole (1.24E+002 Pa-m3/mole)

Exper Database: 8.41E-04 atm-m3/mole (8.52E+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: 4.313E-005 atm-m3/mole (4.371E+000 Pa-m3/mole)

VP: 1.83E-006 mm Hg (source: MPBPVP)

WS: 0.0151 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 7.72 (KowWin est)

Log Kaw used: -1.464 (exp database)

Log Koa (KOAWIN v1.10 estimate): 9.184

Log Koa (experimental database): 10.930

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8859

Biowin2 (Non-Linear Model) : 0.8937

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0597 (weeks )

Biowin4 (Primary Survey Model) : 3.8560 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9090

Biowin6 (MITI Non-Linear Model): 0.9544

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0134

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): 0.000789 Pa (5.92E-006 mm Hg)

Log Koa (Exp database): 10.930

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 0.0038

Octanol/air (Koa) model: 0.0209

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.121

Mackay model : 0.233

Octanol/air (Koa) model: 0.626

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.6727 E-12 cm3/molecule-sec

Half-Life = 0.401 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.812 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.177 (Junge-Pankow, Mackay avg)

0.626 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.547E+004 L/kg (MCI method)

Log Koc: 4.190 (MCI method)

Koc : 6.079E+004 L/kg (Kow method)

Log Koc: 4.784 (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 = 3.176 (BCF = 1501 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.7697 days (HL = 5.884 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.299 (BCF = 199.2)

Log BAF Arnot-Gobas method (upper trophic) = 3.850 (BAF = 7074)

log Kow used: 7.72 (estimated)

Volatilization from Water:

Henry LC: 0.000841 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.823 hours

Half-Life from Model Lake : 168.7 hours (7.029 days)

Removal In Wastewater Treatment:

Total removal: 94.00 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.21 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.968 9.62 1000

Water 20.5 360 1000

Soil 75.9 720 1000

Sediment 2.61 3.24e+003 0

Persistence Time: 469 hr

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