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CAS Number: 1120-16-7
SMILES : O=C(N)CCCCCCCCCCC
CHEM : Dodecanamide
MOL FOR: C12 H25 N1 O1
MOL WT : 199.34
------------------------------ 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) = 3.75
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 341.33 (Adapted Stein & Brown method)
Melting Pt (deg C): 110.97 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 3.09E-005 (Modified Grain method)
VP (Pa, 25 deg C) : 0.00412 (Modified Grain method)
MP (exp database): 110 deg C
Subcooled liquid VP: 0.000212 mm Hg (25 deg C, Mod-Grain method)
: 0.0282 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 27.72
log Kow used: 3.75 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 38.048 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Amides
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.90E-007 atm-m3/mole (1.93E-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: 2.924E-007 atm-m3/mole (2.963E-002 Pa-m3/mole)
VP: 3.09E-005 mm Hg (source: MPBPVP)
WS: 27.7 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 3.75 (KowWin est)
Log Kaw used: -5.110 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 8.860
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.9712
Biowin2 (Non-Linear Model) : 0.9911
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0028 (weeks )
Biowin4 (Primary Survey Model) : 4.0346 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.7403
Biowin6 (MITI Non-Linear Model): 0.8777
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.1308
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): 0.0283 Pa (0.000212 mm Hg)
Log Koa (Koawin est ): 8.860
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.000106
Octanol/air (Koa) model: 0.000178
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.00382
Mackay model : 0.00842
Octanol/air (Koa) model: 0.014
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 18.5495 E-12 cm3/molecule-sec
Half-Life = 0.577 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 6.919 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
0.00612 (Junge-Pankow, Mackay avg)
0.014 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 1263 L/kg (MCI method)
Log Koc: 3.101 (MCI method)
Koc : 989.8 L/kg (Kow method)
Log Koc: 2.996 (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 = 2.141 (BCF = 138.2 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.9702 days (HL = 0.1071 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.630 (BCF = 42.69)
Log BAF Arnot-Gobas method (upper trophic) = 1.630 (BAF = 42.69)
log Kow used: 3.75 (estimated)
Volatilization from Water:
Henry LC: 1.9E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 4352 hours (181.3 days)
Half-Life from Model Lake : 4.76E+004 hours (1983 days)
Removal In Wastewater Treatment:
Total removal: 20.08 percent
Total biodegradation: 0.24 percent
Total sludge adsorption: 19.84 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 0.85 13.8 1000
Water 22.2 360 1000
Soil 76 720 1000
Sediment 0.964 3.24e+003 0
Persistence Time: 528 hr