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CAS Number: 24607-06-5

SMILES : CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O

CHEM :

MOL FOR: C19 H34 O4

MOL WT : 326.48

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 4.79

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

Boiling Pt (deg C): 418.48 (Adapted Stein & Brown method)

Melting Pt (deg C): 150.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.11E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 1.48E-007 (Modified Grain method)

Subcooled liquid VP: 2.12E-008 mm Hg (25 deg C, Mod-Grain method)

: 2.83E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.6972

log Kow used: 4.79 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.1294 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Esters

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

Bond Method : 2.70E-009 atm-m3/mole (2.74E-004 Pa-m3/mole)

Group Method: 2.62E-013 atm-m3/mole (2.66E-008 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: 6.839E-010 atm-m3/mole (6.930E-005 Pa-m3/mole)

VP: 1.11E-009 mm Hg (source: MPBPVP)

WS: 0.697 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.79 (KowWin est)

Log Kaw used: -6.957 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 11.747

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0838

Biowin2 (Non-Linear Model) : 0.9909

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9378 (weeks )

Biowin4 (Primary Survey Model) : 3.8646 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9483

Biowin6 (MITI Non-Linear Model): 0.9507

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.2001

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): 2.83E-006 Pa (2.12E-008 mm Hg)

Log Koa (Koawin est ): 11.747

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

Mackay model : 1.06

Octanol/air (Koa) model: 0.137

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.975

Mackay model : 0.988

Octanol/air (Koa) model: 0.916

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 46.3978 E-12 cm3/molecule-sec

Half-Life = 0.231 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.766 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec

Half-Life = 382.000 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

0.981 (Junge-Pankow, Mackay avg)

0.916 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 270 L/kg (MCI method)

Log Koc: 2.431 (MCI method)

Koc : 485.4 L/kg (Kow method)

Log Koc: 2.686 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 6.587E-002 L/mol-sec

Kb Half-Life at pH 8: 121.782 days

Kb Half-Life at pH 7: 3.334 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.452 (BCF = 28.34 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.6090 days (HL = 0.0246 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.099 (BCF = 12.56)

Log BAF Arnot-Gobas method (upper trophic) = 1.099 (BAF = 12.56)

log Kow used: 4.79 (estimated)

Volatilization from Water:

Henry LC: 2.7E-009 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.918E+005 hours (1.633E+004 days)

Half-Life from Model Lake : 4.274E+006 hours (1.781E+005 days)

Removal In Wastewater Treatment:

Total removal: 69.95 percent

Total biodegradation: 0.62 percent

Total sludge adsorption: 69.33 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.337 5.53 1000

Water 22.7 360 1000

Soil 76.7 720 1000

Sediment 0.271 3.24e+003 0

Persistence Time: 538 hr

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