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CAS Number: 11138-60-6


CHEM : Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol o


MOL FOR: C24 H46 O5

MOL WT : 414.63

------------------------------ EPI SUMMARY (v4.10) --------------------------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Water Solubility (mg/L): ------

Physical Property Inputs:

Vapor Pressure (mm Hg) : ------

Melting Point (deg C) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 7.67

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

Boiling Pt (deg C): 448.27 (Adapted Stein & Brown method)

Melting Pt (deg C): 115.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.7E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 1.16E-007 (Modified Grain method)

Subcooled liquid VP: 6.86E-009 mm Hg (25 deg C, Mod-Grain method)

: 9.14E-007 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.00227

log Kow used: 7.67 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0025829 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 3.32E-009 atm-m3/mole (3.37E-004 Pa-m3/mole)

Group Method: 4.06E-010 atm-m3/mole (4.11E-005 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: 2.091E-007 atm-m3/mole (2.119E-002 Pa-m3/mole)

VP: 8.7E-010 mm Hg (source: MPBPVP)

WS: 0.00227 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.67 (KowWin est)

Log Kaw used: -6.867 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 14.537

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0902

Biowin2 (Non-Linear Model) : 0.9998

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1078 (weeks )

Biowin4 (Primary Survey Model) : 4.2216 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.2856

Biowin6 (MITI Non-Linear Model): 0.9904

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5720

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): 9.15E-007 Pa (6.86E-009 mm Hg)

Log Koa (Koawin est ): 14.537

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

Mackay model : 3.28

Octanol/air (Koa) model: 84.5

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.992

Mackay model : 0.996

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.6281 E-12 cm3/molecule-sec

Half-Life = 0.402 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.820 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.994 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.005E+004 L/kg (MCI method)

Log Koc: 4.002 (MCI method)

Koc : 4.217E+004 L/kg (Kow method)

Log Koc: 4.625 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.015E-002 L/mol-sec

Kb Half-Life at pH 8: 266.102 days

Kb Half-Life at pH 7: 7.285 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.200 (BCF = 1584 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.8855 days (HL = 0.1302 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.774 (BCF = 5.941)

Log BAF Arnot-Gobas method (upper trophic) = 0.781 (BAF = 6.043)

log Kow used: 7.67 (estimated)

Volatilization from Water:

Henry LC: 4.06E-010 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.936E+006 hours (1.224E+005 days)

Half-Life from Model Lake : 3.203E+007 hours (1.335E+006 days)

Removal In Wastewater Treatment:

Total removal: 93.99 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.22 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 0.338 9.64 1000

Water 18.9 360 1000

Soil 79 720 1000

Sediment 1.72 3.24e+003 0

Persistence Time: 627 hr

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