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CAS Number: 638-58-4
SMILES : O=C(N)CCCCCCCCCCCCC
CHEM : Tetradecanamide
MOL FOR: C14 H29 N1 O1
MOL WT : 227.39
------------------------------ EPI SUMMARY (v4.11) --------------------------
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) = 4.73
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 364.64 (Adapted Stein & Brown method)
Melting Pt (deg C): 126.81 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 1E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00133 (Modified Grain method)
MP (exp database): 104 deg C
Subcooled liquid VP: 5.91E-005 mm Hg (25 deg C, Mod-Grain method)
: 0.00789 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.864
log Kow used: 4.73 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3.66 mg/L
ECOSAR Class Program (ECOSAR v1.11):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 3.35E-007 atm-m3/mole (3.40E-002 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: 1.045E-006 atm-m3/mole (1.059E-001 Pa-m3/mole)
VP: 1E-005 mm Hg (source: MPBPVP)
WS: 2.86 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 4.73 (KowWin est)
Log Kaw used: -4.863 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 9.593
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9579
Biowin2 (Non-Linear Model) : 0.9868
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9408 (weeks )
Biowin4 (Primary Survey Model) : 3.9942 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7557
Biowin6 (MITI Non-Linear Model): 0.8829
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1828
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): 0.00788 Pa (5.91E-005 mm Hg)
Log Koa (Koawin est ): 9.593
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000381
Octanol/air (Koa) model: 0.000962
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0136
Mackay model : 0.0296
Octanol/air (Koa) model: 0.0714
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 21.3756 E-12 cm3/molecule-sec
Half-Life = 0.500 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.005 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.0216 (Junge-Pankow, Mackay avg)
0.0714 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 4194 L/kg (MCI method)
Log Koc: 3.623 (MCI method)
Koc : 3448 L/kg (Kow method)
Log Koc: 3.538 (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 = 1.414 (BCF = 25.96 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.6919 days (HL = 0.2033 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.931 (BCF = 85.26)
Log BAF Arnot-Gobas method (upper trophic) = 1.931 (BAF = 85.27)
log Kow used: 4.73 (estimated)
Volatilization from Water:
Henry LC: 3.35E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2637 hours (109.9 days)
Half-Life from Model Lake : 2.889E+004 hours (1204 days)
Removal In Wastewater Treatment:
Total removal: 67.35 percent
Total biodegradation: 0.60 percent
Total sludge adsorption: 66.74 percent
Total to Air: 0.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.854 12 1000
Water 22.4 360 1000
Soil 73.8 720 1000
Sediment 2.91 3.24e+003 0
Persistence Time: 513 hr