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CAS Num: 000112-72-1


CHEM : 1-Tetradecanol

MOL FOR: C14 H30 O1

MOL WT : 214.39

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = 5.75

Log Kow (Exper. database match) = 6.03

Exper. Ref: BURKHARD,LP ET AL. (1985B)

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

Boiling Pt (deg C): 303.68 (Adapted Stein & Brown method)

Melting Pt (deg C): 49.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000201 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0269 (Modified Grain method)

MP (exp database): 39.5 deg C

BP (exp database): 289 deg C

VP (exp database): 1.10E-04 mm Hg (1.47E-002 Pa) at 25 deg C

Subcooled liquid VP: 0.000153 mm Hg (25 deg C, exp database VP )

: 0.0204 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 0.8449

log Kow used: 6.03 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.191 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & HE,Y (2003)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.7571 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.70E-004 atm-m3/mole (1.72E+001 Pa-m3/mole)

Group Method: 3.08E-004 atm-m3/mole (3.12E+001 Pa-m3/mole)

Exper Database: 1.60E-04 atm-m3/mole (1.62E+001 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: 6.711E-005 atm-m3/mole (6.800E+000 Pa-m3/mole)

VP: 0.000201 mm Hg (source: MPBPVP)

WS: 0.845 mg/L (source: WSKOWWIN)

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

Log Kow used: 6.03 (exp database)

Log Kaw used: -2.184 (exp database)

Log Koa (KOAWIN v1.10 estimate): 8.214

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9126

Biowin2 (Non-Linear Model) : 0.9491

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1837 (weeks )

Biowin4 (Primary Survey Model) : 3.9369 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8783

Biowin6 (MITI Non-Linear Model): 0.9499

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9094

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): 0.0204 Pa (0.000153 mm Hg)

Log Koa (Koawin est ): 8.214

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

Mackay model : 0.000147

Octanol/air (Koa) model: 4.02E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00528

Mackay model : 0.0116

Octanol/air (Koa) model: 0.0032

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 21.0205 E-12 cm3/molecule-sec

Half-Life = 0.509 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.106 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00846 (Junge-Pankow, Mackay avg)

0.0032 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1403 L/kg (MCI method)

Log Koc: 3.147 (MCI method)

Koc : 7064 L/kg (Kow method)

Log Koc: 3.849 (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 = 2.271 (BCF = 186.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.2985 days (HL = 1.989 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.826 (BCF = 670.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.910 (BAF = 812.7)

log Kow used: 6.03 (expkow database)

Volatilization from Water:

Henry LC: 0.00016 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 6.852 hours

Half-Life from Model Lake : 197.5 hours (8.23 days)

Removal In Wastewater Treatment:

Total removal: 92.30 percent

Total biodegradation: 0.77 percent

Total sludge adsorption: 91.39 percent

Total to Air: 0.15 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.45 12.2 1000

Water 20.1 360 1000

Soil 77.6 720 1000

Sediment 0.907 3.24e+003 0

Persistence Time: 435 hr

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