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CAS Num: 000140-25-0


CHEM : Dodecanoic acid, phenylmethyl ester

MOL FOR: C19 H30 O2

MOL WT : 290.45

------------------------------ 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) = 6.99

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

Boiling Pt (deg C): 363.52 (Adapted Stein & Brown method)

Melting Pt (deg C): 99.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 6.29E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00839 (Modified Grain method)

MP (exp database): 8.5 deg C

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

Water Solubility at 25 deg C (mg/L): 0.01491

log Kow used: 6.99 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0069228 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.41E-004 atm-m3/mole (2.44E+001 Pa-m3/mole)

Group Method: 4.77E-005 atm-m3/mole (4.83E+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: 1.612E-003 atm-m3/mole (1.634E+002 Pa-m3/mole)

VP: 6.29E-005 mm Hg (source: MPBPVP)

WS: 0.0149 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.99 (KowWin est)

Log Kaw used: -2.006 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.996

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0200

Biowin2 (Non-Linear Model) : 0.9987

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0179 (weeks )

Biowin4 (Primary Survey Model) : 3.9316 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6718

Biowin6 (MITI Non-Linear Model): 0.7986

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6042

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): 0.00839 Pa (6.29E-005 mm Hg)

Log Koa (Koawin est ): 8.996

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

Mackay model : 0.000358

Octanol/air (Koa) model: 0.000243

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0128

Mackay model : 0.0278

Octanol/air (Koa) model: 0.0191

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.3161 E-12 cm3/molecule-sec

Half-Life = 0.554 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.645 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0203 (Junge-Pankow, Mackay avg)

0.0191 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4.849E+004 L/kg (MCI method)

Log Koc: 4.686 (MCI method)

Koc : 5.32E+004 L/kg (Kow method)

Log Koc: 4.726 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 9.539E-002 L/mol-sec

Kb Half-Life at pH 8: 84.097 days

Kb Half-Life at pH 7: 2.302 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.906 (BCF = 805.3 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4079 days (HL = 0.3909 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.736 (BCF = 54.45)

Log BAF Arnot-Gobas method (upper trophic) = 1.763 (BAF = 57.99)

log Kow used: 6.99 (estimated)

Volatilization from Water:

Henry LC: 4.77E-005 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 22.66 hours

Half-Life from Model Lake : 390.1 hours (16.25 days)

Removal In Wastewater Treatment:

Total removal: 93.84 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.06 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.06 13.3 1000

Water 18.2 360 1000

Soil 64 720 1000

Sediment 16.8 3.24e+003 0

Persistence Time: 542 hr

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