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CAS Num: 068141-27-5


CHEM : 10-Undecenoic acid, heptyl ester

MOL FOR: C18 H34 O2

MOL WT : 282.47

------------------------------ 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) = 7.60

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

Boiling Pt (deg C): 336.22 (Adapted Stein & Brown method)

Melting Pt (deg C): 71.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000102 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0136 (Modified Grain method)

Subcooled liquid VP: 0.000279 mm Hg (25 deg C, Mod-Grain method)

: 0.0373 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.004983

log Kow used: 7.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0039167 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 9.16E-003 atm-m3/mole (9.28E+002 Pa-m3/mole)

Group Method: 6.29E-003 atm-m3/mole (6.37E+002 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: 7.608E-003 atm-m3/mole (7.709E+002 Pa-m3/mole)

VP: 0.000102 mm Hg (source: MPBPVP)

WS: 0.00498 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.60 (KowWin est)

Log Kaw used: -0.427 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.027

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8957

Biowin2 (Non-Linear Model) : 0.9928

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0135 (weeks )

Biowin4 (Primary Survey Model) : 3.9382 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9263

Biowin6 (MITI Non-Linear Model): 0.9496

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7539

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): 0.0372 Pa (0.000279 mm Hg)

Log Koa (Koawin est ): 8.027

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

Mackay model : 8.06E-005

Octanol/air (Koa) model: 2.61E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0029

Mackay model : 0.00641

Octanol/air (Koa) model: 0.00209

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 45.0897 E-12 cm3/molecule-sec

Half-Life = 0.237 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.847 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

0.00466 (Junge-Pankow, Mackay avg)

0.00209 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2.605E+004 L/kg (MCI method)

Log Koc: 4.416 (MCI method)

Koc : 1.157E+005 L/kg (Kow method)

Log Koc: 5.063 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.417E-002 L/mol-sec

Kb Half-Life at pH 8: 331.881 days

Kb Half-Life at pH 7: 9.086 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 3.232 (BCF = 1706 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2292 days (HL = 1.695 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.877 (BCF = 75.31)

Log BAF Arnot-Gobas method (upper trophic) = 2.475 (BAF = 298.4)

log Kow used: 7.60 (estimated)

Volatilization from Water:

Henry LC: 0.00629 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.871 hours

Half-Life from Model Lake : 161.3 hours (6.723 days)

Removal In Wastewater Treatment:

Total removal: 94.01 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.11 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.577 4.56 1000

Water 19.8 360 1000

Soil 74.5 720 1000

Sediment 5.08 3.24e+003 0

Persistence Time: 446 hr

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