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CAS Number: 63793-60-2


CHEM : 3-tetradecoxypropan-1-ol

MOL FOR: C17 H36 O2

MOL WT : 272.48

------------------------------ 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) = 5.97

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

Boiling Pt (deg C): 355.11 (Adapted Stein & Brown method)

Melting Pt (deg C): 92.46 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 8.3E-007 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000111 (Modified Grain method)

Subcooled liquid VP: 3.72E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000496 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.4575

log Kow used: 5.97 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.44341 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.21E-006 atm-m3/mole (2.24E-001 Pa-m3/mole)

Group Method: 9.30E-007 atm-m3/mole (9.42E-002 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: 6.504E-007 atm-m3/mole (6.591E-002 Pa-m3/mole)

VP: 8.3E-007 mm Hg (source: MPBPVP)

WS: 0.458 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.97 (KowWin est)

Log Kaw used: -4.044 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 10.014

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.5376

Biowin2 (Non-Linear Model) : 0.2094

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0467 (weeks )

Biowin4 (Primary Survey Model) : 3.8434 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8552

Biowin6 (MITI Non-Linear Model): 0.9204

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7301

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): 0.000496 Pa (3.72E-006 mm Hg)

Log Koa (Koawin est ): 10.014

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

Mackay model : 0.00605

Octanol/air (Koa) model: 0.00254

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.179

Mackay model : 0.326

Octanol/air (Koa) model: 0.169

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 41.6648 E-12 cm3/molecule-sec

Half-Life = 0.257 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.081 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.253 (Junge-Pankow, Mackay avg)

0.169 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 2079 L/kg (MCI method)

Log Koc: 3.318 (MCI method)

Koc : 5312 L/kg (Kow method)

Log Koc: 3.725 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.231 (BCF = 170.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1801 days (HL = 1.514 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.722 (BCF = 527)

Log BAF Arnot-Gobas method (upper trophic) = 2.767 (BAF = 584.6)

log Kow used: 5.97 (estimated)

Volatilization from Water:

Henry LC: 9.3E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1041 hours (43.37 days)

Half-Life from Model Lake : 1.149E+004 hours (478.9 days)

Removal In Wastewater Treatment:

Total removal: 92.02 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.25 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 0.524 6.16 1000

Water 23.5 360 1000

Soil 74.4 720 1000

Sediment 1.52 3.24e+003 0

Persistence Time: 488 hr

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