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CAS Num: 072214-23-4


CHEM : 5,7-Octadien-2-ol, 2,6-dimethyl-, acetate

MOL FOR: C12 H20 O2

MOL WT : 196.29

------------------------------ 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) = 4.39

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

Boiling Pt (deg C): 228.95 (Adapted Stein & Brown method)

Melting Pt (deg C): -2.09 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0826 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 11 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 8.197

log Kow used: 4.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 40.617 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.42E-003 atm-m3/mole (1.43E+002 Pa-m3/mole)

Group Method: 1.14E-004 atm-m3/mole (1.16E+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: 2.603E-003 atm-m3/mole (2.637E+002 Pa-m3/mole)

VP: 0.0826 mm Hg (source: MPBPVP)

WS: 8.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.39 (KowWin est)

Log Kaw used: -1.236 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.626

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6443

Biowin2 (Non-Linear Model) : 0.9294

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6935 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6401 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6648

Biowin6 (MITI Non-Linear Model): 0.6802

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1133

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 10.4 Pa (0.0778 mm Hg)

Log Koa (Koawin est ): 5.626

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

Mackay model : 2.89E-007

Octanol/air (Koa) model: 1.04E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.04E-005

Mackay model : 2.31E-005

Octanol/air (Koa) model: 8.3E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 145.0746 E-12 cm3/molecule-sec

Half-Life = 0.074 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.885 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 18.000000 E-17 cm3/molecule-sec

Half-Life = 0.064 Days (at 7E11 mol/cm3)

Half-Life = 1.528 Hrs

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

1.68E-005 (Junge-Pankow, Mackay avg)

8.3E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 420.8 L/kg (MCI method)

Log Koc: 2.624 (MCI method)

Koc : 1940 L/kg (Kow method)

Log Koc: 3.288 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.610E-002 L/mol-sec

Kb Half-Life at pH 8: 174.013 days

Kb Half-Life at pH 7: 4.764 years

(Total Kb applies only to esters, carbmates, alkyl halides)

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.561 (BCF = 364.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3270 days (HL = 0.471 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.268 (BCF = 185.3)

Log BAF Arnot-Gobas method (upper trophic) = 2.268 (BAF = 185.3)

log Kow used: 4.39 (estimated)

Volatilization from Water:

Henry LC: 0.000114 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 8.625 hours

Half-Life from Model Lake : 211.6 hours (8.815 days)

Removal In Wastewater Treatment:

Total removal: 51.97 percent

Total biodegradation: 0.46 percent

Total sludge adsorption: 48.87 percent

Total to Air: 2.64 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.0644 0.82 1000

Water 15.8 900 1000

Soil 83.8 1.8e+003 1000

Sediment 0.368 8.1e+003 0

Persistence Time: 867 hr

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