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CAS Num: 035274-05-6


CHEM : Propanoic acid, 2-hydroxy-, hexadecyl ester

MOL FOR: C19 H38 O3

MOL WT : 314.51

------------------------------ 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) = 6.69

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

Boiling Pt (deg C): 381.70 (Adapted Stein & Brown method)

Melting Pt (deg C): 114.04 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.54E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 6.06E-005 (Modified Grain method)

MP (exp database): 41 deg C

Subcooled liquid VP: 6.34E-007 mm Hg (25 deg C, Mod-Grain method)

: 8.46E-005 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.0629

log Kow used: 6.69 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.04983 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 2.55E-003 atm-m3/mole (2.58E+002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.987E-006 atm-m3/mole (3.027E-001 Pa-m3/mole)

VP: 4.54E-007 mm Hg (source: MPBPVP)

WS: 0.0629 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.69 (KowWin est)

Log Kaw used: -0.982 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.672

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0392

Biowin2 (Non-Linear Model) : 0.9963

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1027 (weeks )

Biowin4 (Primary Survey Model) : 4.0215 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9727

Biowin6 (MITI Non-Linear Model): 0.9637

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8878

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): 8.45E-005 Pa (6.34E-007 mm Hg)

Log Koa (Koawin est ): 7.672

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

Mackay model : 0.0355

Octanol/air (Koa) model: 1.15E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.562

Mackay model : 0.74

Octanol/air (Koa) model: 0.000922

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 23.9360 E-12 cm3/molecule-sec

Half-Life = 0.447 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 5.362 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.651 (Junge-Pankow, Mackay avg)

0.000922 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3571 L/kg (MCI method)

Log Koc: 3.553 (MCI method)

Koc : 1.408E+004 L/kg (Kow method)

Log Koc: 4.149 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 4.224E-001 L/mol-sec

Kb Half-Life at pH 8: 18.992 days

Kb Half-Life at pH 7: 189.925 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.708 (BCF = 510.9 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.4129 days (HL = 0.3865 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.908 (BCF = 80.84)

Log BAF Arnot-Gobas method (upper trophic) = 1.923 (BAF = 83.72)

log Kow used: 6.69 (estimated)

Volatilization from Water:

Henry LC: 0.00255 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.217 hours

Half-Life from Model Lake : 172.9 hours (7.204 days)

Removal In Wastewater Treatment:

Total removal: 93.71 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.54 percent

Total to Air: 0.40 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.48 10.7 1000

Water 16.8 360 1000

Soil 80.2 720 1000

Sediment 1.51 3.24e+003 0

Persistence Time: 422 hr

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