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CAS Num: 000112-18-5
SMILES : N(CCCCCCCCCCCC)(C)C
CHEM : 1-Dodecanamine, N,N-dimethyl-
MOL FOR: C14 H31 N1
MOL WT : 213.41
------------------------------ 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) = 5.44
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 260.12 (Adapted Stein & Brown method)
Melting Pt (deg C): 22.53 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0159 (Mean VP of Antoine & Grain methods)
VP (Pa, 25 deg C) : 2.12 (Mean VP of Antoine & Grain methods)
MP (exp database): 22 deg C
BP (exp database): 260 deg C
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 8.575
log Kow used: 5.44 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.696 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.24E-004 atm-m3/mole (8.35E+001 Pa-m3/mole)
Group Method: 4.88E-003 atm-m3/mole (4.95E+002 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: 5.207E-004 atm-m3/mole (5.276E+001 Pa-m3/mole)
VP: 0.0159 mm Hg (source: MPBPVP)
WS: 8.57 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.44 (KowWin est)
Log Kaw used: -1.473 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.913
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.5491
Biowin2 (Non-Linear Model) : 0.4011
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7711 (weeks )
Biowin4 (Primary Survey Model) : 3.5209 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.5372
Biowin6 (MITI Non-Linear Model): 0.5764
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.5093
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): 2.12 Pa (0.0159 mm Hg)
Log Koa (Koawin est ): 6.913
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.42E-006
Octanol/air (Koa) model: 2.01E-006
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.11E-005
Mackay model : 0.000113
Octanol/air (Koa) model: 0.000161
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 93.2472 E-12 cm3/molecule-sec
Half-Life = 0.115 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 1.376 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
8.22E-005 (Junge-Pankow, Mackay avg)
0.000161 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5643 L/kg (MCI method)
Log Koc: 3.751 (MCI method)
Koc : 7392 L/kg (Kow method)
Log Koc: 3.869 (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 = 1.882 (BCF = 76.29 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.1596 days (HL = 0.6925 days)
Log BCF Arnot-Gobas method (upper trophic) = 2.440 (BCF = 275.3)
Log BAF Arnot-Gobas method (upper trophic) = 2.443 (BAF = 277.3)
log Kow used: 5.44 (estimated)
Volatilization from Water:
Henry LC: 0.00488 atm-m3/mole (estimated by Group SAR Method)
Half-Life from Model River: 1.666 hours
Half-Life from Model Lake : 140.7 hours (5.861 days)
Removal In Wastewater Treatment:
Total removal: 90.25 percent
Total biodegradation: 0.61 percent
Total sludge adsorption: 79.63 percent
Total to Air: 10.01 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.533 2.75 1000
Water 16.8 360 1000
Soil 79.8 720 1000
Sediment 2.86 3.24e+003 0
Persistence Time: 376 hr