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CAS Number: 68425-37-6


CHEM : Alcohols, coco

MOL FOR: C12 H26 O1

MOL WT : 186.34

------------------------------ 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) = 4.77

Log Kow (Exper. database match) = 5.13

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 272.96 (Adapted Stein & Brown method)

Melting Pt (deg C): 29.19 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00181 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.242 (Mean VP of Antoine & Grain methods)

MP (exp database): 24 deg C

BP (exp database): 259 deg C

VP (exp database): 8.48E-04 mm Hg (1.13E-001 Pa) at 25 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 6.898

log Kow used: 5.13 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4 mg/L (25 deg C)

Exper. Ref: BARTON,AFM (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7.8034 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.63E-005 atm-m3/mole (9.76E+000 Pa-m3/mole)

Group Method: 1.54E-004 atm-m3/mole (1.56E+001 Pa-m3/mole)

Exper Database: 2.22E-05 atm-m3/mole (2.25E+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: 6.434E-005 atm-m3/mole (6.519E+000 Pa-m3/mole)

VP: 0.00181 mm Hg (source: MPBPVP)

WS: 6.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.13 (exp database)

Log Kaw used: -3.042 (exp database)

Log Koa (KOAWIN v1.10 estimate): 8.172

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9260

Biowin2 (Non-Linear Model) : 0.9652

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2457 (weeks )

Biowin4 (Primary Survey Model) : 3.9774 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8629

Biowin6 (MITI Non-Linear Model): 0.9476

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8574

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): 0.113 Pa (0.000848 mm Hg)

Log Koa (Koawin est ): 8.172

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

Mackay model : 2.65E-005

Octanol/air (Koa) model: 3.65E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000957

Mackay model : 0.00212

Octanol/air (Koa) model: 0.00291

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 18.1944 E-12 cm3/molecule-sec

Half-Life = 0.588 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.054 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00154 (Junge-Pankow, Mackay avg)

0.00291 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 422.3 L/kg (MCI method)

Log Koc: 2.626 (MCI method)

Koc : 2245 L/kg (Kow method)

Log Koc: 3.351 (Kow method)

Experimental Log Koc: 3.52 (database)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.677 (BCF = 47.59 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0455 days (HL = 1.11 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.645 (BCF = 441.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.649 (BAF = 445.4)

log Kow used: 5.13 (expkow database)

Volatilization from Water:

Henry LC: 2.22E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 37.39 hours (1.558 days)

Half-Life from Model Lake : 522.4 hours (21.77 days)

Removal In Wastewater Treatment:

Total removal: 81.48 percent

Total biodegradation: 0.70 percent

Total sludge adsorption: 80.61 percent

Total to Air: 0.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.34 14.1 1000

Water 24.3 360 1000

Soil 74 720 1000

Sediment 0.413 3.24e+003 0

Persistence Time: 452 hr

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