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CAS Num: 004706-81-4
SMILES : OC(C)CCCCCCCCCCCC
CHEM : 2-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) = 5.68
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 289.90 (Adapted Stein & Brown method)
Melting Pt (deg C): 29.05 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.000311 (Modified Grain method)
VP (Pa, 25 deg C) : 0.0415 (Modified Grain method)
MP (exp database): 34 deg C
BP (exp database): 284 deg C
Subcooled liquid VP: 0.000374 mm Hg (25 deg C, Mod-Grain method)
: 0.0499 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 1.686
log Kow used: 5.68 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1.2688 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: 5.11E-004 atm-m3/mole (5.18E+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: 5.203E-005 atm-m3/mole (5.272E+000 Pa-m3/mole)
VP: 0.000311 mm Hg (source: MPBPVP)
WS: 1.69 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.68 (KowWin est)
Log Kaw used: -2.158 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 7.838
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) : 0.7292
Biowin6 (MITI Non-Linear Model): 0.8812
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6120
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): 0.0499 Pa (0.000374 mm Hg)
Log Koa (Koawin est ): 7.838
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 6.02E-005
Octanol/air (Koa) model: 1.69E-005
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00217
Mackay model : 0.00479
Octanol/air (Koa) model: 0.00135
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 24.1056 E-12 cm3/molecule-sec
Half-Life = 0.444 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 5.325 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00348 (Junge-Pankow, Mackay avg)
0.00135 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1180 L/kg (MCI method)
Log Koc: 3.072 (MCI method)
Koc : 4523 L/kg (Kow method)
Log Koc: 3.655 (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 = 2.039 (BCF = 109.5 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.1960 days (HL = 1.57 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.771 (BCF = 590.5)
Log BAF Arnot-Gobas method (upper trophic) = 2.797 (BAF = 626.4)
log Kow used: 5.68 (estimated)
Volatilization from Water:
Henry LC: 0.00017 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 6.537 hours
Half-Life from Model Lake : 194.1 hours (8.087 days)
Removal In Wastewater Treatment:
Total removal: 90.24 percent
Total biodegradation: 0.75 percent
Total sludge adsorption: 89.15 percent
Total to Air: 0.34 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.32 10.6 1000
Water 20 360 1000
Soil 77.9 720 1000
Sediment 0.797 3.24e+003 0
Persistence Time: 430 hr