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CAS Num: 018485-38-6


CHEM : 2,4-Dodecadien-1-ol, (E,E)-

MOL FOR: C12 H22 O1

MOL WT : 182.31

------------------------------ 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) = 4.34

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

Boiling Pt (deg C): 282.81 (Adapted Stein & Brown method)

Melting Pt (deg C): 26.98 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000388 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0517 (Modified Grain method)

Subcooled liquid VP: 0.000404 mm Hg (25 deg C, Mod-Grain method)

: 0.0539 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 34.15

log Kow used: 4.34 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 37.364 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Alcohols

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

Bond Method : 6.07E-005 atm-m3/mole (6.15E+000 Pa-m3/mole)

Group Method: 2.03E-005 atm-m3/mole (2.06E+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: 2.725E-006 atm-m3/mole (2.762E-001 Pa-m3/mole)

VP: 0.000388 mm Hg (source: MPBPVP)

WS: 34.1 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.34 (KowWin est)

Log Kaw used: -2.605 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.945

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9279

Biowin2 (Non-Linear Model) : 0.9671

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2546 (days-weeks )

Biowin4 (Primary Survey Model) : 3.9832 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7020

Biowin6 (MITI Non-Linear Model): 0.8032

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4594

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): 0.0539 Pa (0.000404 mm Hg)

Log Koa (Koawin est ): 6.945

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

Mackay model : 5.57E-005

Octanol/air (Koa) model: 2.16E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00201

Mackay model : 0.00444

Octanol/air (Koa) model: 0.000173

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 153.5261 E-12 cm3/molecule-sec

Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.836 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 32.000000 E-17 cm3/molecule-sec

Half-Life = 0.036 Days (at 7E11 mol/cm3)

Half-Life = 51.570 Min

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.00322 (Junge-Pankow, Mackay avg)

0.000173 (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 : 820.8 L/kg (Kow method)

Log Koc: 2.914 (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 = 2.530 (BCF = 339.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1116 days (HL = 1.293 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.642 (BCF = 438.7)

Log BAF Arnot-Gobas method (upper trophic) = 2.643 (BAF = 439.6)

log Kow used: 4.34 (estimated)

Volatilization from Water:

Henry LC: 6.07E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 14.4 hours

Half-Life from Model Lake : 270.3 hours (11.26 days)

Removal In Wastewater Treatment:

Total removal: 48.56 percent

Total biodegradation: 0.45 percent

Total sludge adsorption: 46.53 percent

Total to Air: 1.59 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.114 0.568 1000

Water 26.4 208 1000

Soil 73.2 416 1000

Sediment 0.34 1.87e+003 0

Persistence Time: 265 hr

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