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CAS Number: 6221-95-0


CHEM : 1-Tetradecanol, propanoate

MOL FOR: C17 H34 O2

MOL WT : 270.46

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

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 v1.68 estimate) = 7.25

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

Boiling Pt (deg C): 324.49 (Adapted Stein & Brown method)

Melting Pt (deg C): 63.16 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000232 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0309 (Modified Grain method)

Subcooled liquid VP: 0.000527 mm Hg (25 deg C, Mod-Grain method)

: 0.0702 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.01172

log Kow used: 7.25 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.012481 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 9.26E-003 atm-m3/mole (9.38E+002 Pa-m3/mole)

Group Method: 1.41E-002 atm-m3/mole (1.43E+003 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: 7.044E-003 atm-m3/mole (7.138E+002 Pa-m3/mole)

VP: 0.000232 mm Hg (source: MPBPVP)

WS: 0.0117 mg/L (source: WSKOWWIN)

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

Log Kow used: 7.25 (KowWin est)

Log Kaw used: -0.422 (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) : 0.9014

Biowin2 (Non-Linear Model) : 0.9939

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0400 (weeks )

Biowin4 (Primary Survey Model) : 3.9556 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.9439

Biowin6 (MITI Non-Linear Model): 0.9614

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8949

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): 0.0703 Pa (0.000527 mm Hg)

Log Koa (Koawin est ): 7.672

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

Mackay model : 4.27E-005

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

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00154

Mackay model : 0.0034

Octanol/air (Koa) model: 0.000922

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.1546 E-12 cm3/molecule-sec

Half-Life = 0.558 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.701 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00247 (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 : 1.429E+004 L/kg (MCI method)

Log Koc: 4.155 (MCI method)

Koc : 7.408E+004 L/kg (Kow method)

Log Koc: 4.870 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.856E-002 L/mol-sec

Kb Half-Life at pH 8: 208.057 days

Kb Half-Life at pH 7: 5.696 years

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 3.406 (BCF = 2545 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.0996 days (HL = 1.258 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.047 (BCF = 111.4)

Log BAF Arnot-Gobas method (upper trophic) = 2.353 (BAF = 225.3)

log Kow used: 7.25 (estimated)

Volatilization from Water:

Henry LC: 0.0141 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.746 hours

Half-Life from Model Lake : 156.9 hours (6.54 days)

Removal In Wastewater Treatment:

Total removal: 94.02 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 92.66 percent

Total to Air: 0.58 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.96 13.4 1000

Water 19.6 360 1000

Soil 74 720 1000

Sediment 4.41 3.24e+003 0

Persistence Time: 399 hr

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