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CAS Number: 6640-03-5

SMILES : O=P(OCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCC)O

CHEM : 1-Tetradecanol, hydrogen phosphate

MOL FOR: C28 H59 O4 P1

MOL WT : 490.75

------------------------------ 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) = 12.11

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

Boiling Pt (deg C): 480.00 (Adapted Stein & Brown method)

Melting Pt (deg C): 90.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.78E-010 (Modified Grain method)

VP (Pa, 25 deg C) : 2.38E-008 (Modified Grain method)

Subcooled liquid VP: 7.58E-010 mm Hg (25 deg C, Mod-Grain method)

: 1.01E-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): 3.728e-008

log Kow used: 12.11 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.9075e-007 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.23E-006 atm-m3/mole (1.25E-001 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: 3.083E-003 atm-m3/mole (3.124E+002 Pa-m3/mole)

VP: 1.78E-010 mm Hg (source: MPBPVP)

WS: 3.73E-008 mg/L (source: WSKOWWIN)

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

Log Kow used: 12.11 (KowWin est)

Log Kaw used: -4.299 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.409

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7308

Biowin2 (Non-Linear Model) : 0.4323

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7113 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6778 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5378

Biowin6 (MITI Non-Linear Model): 0.3927

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7172

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 1.01E-007 Pa (7.58E-010 mm Hg)

Log Koa (Koawin est ): 16.409

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

Mackay model : 29.7

Octanol/air (Koa) model: 6.3E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.999

Mackay model : 1

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 80.9609 E-12 cm3/molecule-sec

Half-Life = 0.132 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.585 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.999 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3.235E+007 L/kg (MCI method)

Log Koc: 7.510 (MCI method)

Koc : 5.332E+007 L/kg (Kow method)

Log Koc: 7.727 (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 v3.01):

Log BCF from regression-based method = 0.795 (BCF = 6.234 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 2.1140 days (HL = 130 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.020 (BCF = 1.047)

Log BAF Arnot-Gobas method (upper trophic) = 2.623 (BAF = 419.3)

log Kow used: 12.11 (estimated)

Volatilization from Water:

Henry LC: 1.23E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1057 hours (44.03 days)

Half-Life from Model Lake : 1.171E+004 hours (488.1 days)

Removal In Wastewater Treatment:

Total removal: 94.04 percent

Total biodegradation: 0.78 percent

Total sludge adsorption: 93.26 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 0.112 3.17 1000

Water 16.5 900 1000

Soil 82.9 1.8e+003 1000

Sediment 0.495 8.1e+003 0

Persistence Time: 1.15e+003 hr

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