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CAS Num: 000143-28-2

SMILES : OCCCCCCCCC=CCCCCCCCC

CHEM : 9-Octadecen-1-ol, (Z)-

MOL FOR: C18 H36 O1

MOL WT : 268.49

------------------------------ 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) = 7.50

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

Boiling Pt (deg C): 358.24 (Adapted Stein & Brown method)

Melting Pt (deg C): 85.36 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.49E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00199 (Modified Grain method)

MP (exp database): 6.5 deg C

BP (exp database): 334 deg C

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

Water Solubility at 25 deg C (mg/L): 0.02367

log Kow used: 7.50 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.014915 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.64E-004 atm-m3/mole (4.70E+001 Pa-m3/mole)

Group Method: 3.22E-004 atm-m3/mole (3.27E+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: 2.224E-004 atm-m3/mole (2.253E+001 Pa-m3/mole)

VP: 1.49E-005 mm Hg (source: MPBPVP)

WS: 0.0237 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.50 (KowWin est)

Log Kaw used: -1.722 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.222

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8869

Biowin2 (Non-Linear Model) : 0.8964

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0642 (weeks )

Biowin4 (Primary Survey Model) : 3.8589 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8286

Biowin6 (MITI Non-Linear Model): 0.9087

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8143

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): 0.00199 Pa (1.49E-005 mm Hg)

Log Koa (Koawin est ): 9.222

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

Mackay model : 0.00151

Octanol/air (Koa) model: 0.000409

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0517

Mackay model : 0.108

Octanol/air (Koa) model: 0.0317

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 79.7181 E-12 cm3/molecule-sec [Cis-isomer]

OVERALL OH Rate Constant = 87.3181 E-12 cm3/molecule-sec [Trans-isomer]

Half-Life = 1.610 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]

Half-Life = 1.470 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]

Ozone Reaction:

OVERALL Ozone Rate Constant = 13.000000 E-17 cm3/molecule-sec [Cis-]

OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec [Trans-]

Half-Life = 2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]

Half-Life = 1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.0798 (Junge-Pankow, Mackay avg)

0.0317 (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 : 4.593E+004 L/kg (Kow method)

Log Koc: 4.662 (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 = 3.282 (BCF = 1913 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8581 days (HL = 7.213 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.571 (BCF = 372.8)

Log BAF Arnot-Gobas method (upper trophic) = 4.170 (BAF = 1.48e+004)

log Kow used: 7.50 (estimated)

Volatilization from Water:

Henry LC: 0.000464 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.74 hours

Half-Life from Model Lake : 178.2 hours (7.425 days)

Removal In Wastewater Treatment:

Total removal: 93.98 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.19 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 0.156 1.28 1000

Water 20.4 360 1000

Soil 75.8 720 1000

Sediment 3.64 3.24e+003 0

Persistence Time: 455 hr

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