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CAS Number: 27214-38-6


CHEM : Tetradecanoic acid, monoester with 1,2,3-propanetriol

MOL FOR: C17 H34 O4

MOL WT : 302.46

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 4.65

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

Boiling Pt (deg C): 401.94 (Adapted Stein & Brown method)

Melting Pt (deg C): 139.10 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 4.81E-009 (Modified Grain method)

VP (Pa, 25 deg C) : 6.41E-007 (Modified Grain method)

Subcooled liquid VP: 6.8E-008 mm Hg (25 deg C, Mod-Grain method)

: 9.07E-006 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.265

log Kow used: 4.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 13.805 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.24E-008 atm-m3/mole (1.25E-003 Pa-m3/mole)

Group Method: 3.08E-012 atm-m3/mole (3.12E-007 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: 1.513E-009 atm-m3/mole (1.533E-004 Pa-m3/mole)

VP: 4.81E-009 mm Hg (source: MPBPVP)

WS: 1.26 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.65 (KowWin est)

Log Kaw used: -6.295 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.945

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.2036

Biowin2 (Non-Linear Model) : 0.9990

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.2893 (days-weeks )

Biowin4 (Primary Survey Model) : 4.1683 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 1.1199

Biowin6 (MITI Non-Linear Model): 0.9849

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 1.0742

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): 9.07E-006 Pa (6.8E-008 mm Hg)

Log Koa (Koawin est ): 10.945

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

Mackay model : 0.331

Octanol/air (Koa) model: 0.0216

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.923

Mackay model : 0.964

Octanol/air (Koa) model: 0.634

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.2143 E-12 cm3/molecule-sec

Half-Life = 0.332 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.984 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.943 (Junge-Pankow, Mackay avg)

0.634 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 96.67 L/kg (MCI method)

Log Koc: 1.985 (MCI method)

Koc : 406.1 L/kg (Kow method)

Log Koc: 2.609 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.848E-002 L/mol-sec

Kb Half-Life at pH 8: 281.632 days

Kb Half-Life at pH 7: 7.711 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.362 (BCF = 23.01 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3400 days (HL = 0.04571 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.304 (BCF = 20.14)

Log BAF Arnot-Gobas method (upper trophic) = 1.304 (BAF = 20.14)

log Kow used: 4.65 (estimated)

Volatilization from Water:

Henry LC: 1.24E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 8.212E+004 hours (3422 days)

Half-Life from Model Lake : 8.96E+005 hours (3.733E+004 days)

Removal In Wastewater Treatment:

Total removal: 63.62 percent

Total biodegradation: 0.58 percent

Total sludge adsorption: 63.05 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 0.738 7.97 1000

Water 25.8 208 1000

Soil 73.3 416 1000

Sediment 0.127 1.87e+003 0

Persistence Time: 327 hr

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