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CAS Number: 546-06-5
SMILES : C1C(N(C)C)CC2=CCC3C4CCC5C(C)N(C)CC45CCC3C2(C)C1
CHEM :
MOL FOR: C24 H40 N2
MOL WT : 356.60
------------------------------ 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) = 5.14
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 399.05 (Adapted Stein & Brown method)
Melting Pt (deg C): 157.91 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 8.73E-007 (Modified Grain method)
VP (Pa, 25 deg C) : 0.000116 (Modified Grain method)
MP (exp database): 125.5 deg C
Subcooled liquid VP: 8.77E-006 mm Hg (25 deg C, Mod-Grain method)
: 0.00117 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 2.352
log Kow used: 5.14 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 45.517 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Aliphatic Amines
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 6.82E-008 atm-m3/mole (6.91E-003 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: 1.742E-007 atm-m3/mole (1.765E-002 Pa-m3/mole)
VP: 8.73E-007 mm Hg (source: MPBPVP)
WS: 2.35 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 5.14 (KowWin est)
Log Kaw used: -5.555 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 10.695
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : -0.2006
Biowin2 (Non-Linear Model) : 0.0000
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 1.4773 (recalcitrant)
Biowin4 (Primary Survey Model) : 2.4504 (weeks-months)
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : -0.1227
Biowin6 (MITI Non-Linear Model): 0.0008
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -3.2969
Ready Biodegradability Prediction: NO
Hydrocarbon Biodegradation (BioHCwin v1.01):
Structure incompatible with current estimation method!
Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
Vapor pressure (liquid/subcooled): 0.00117 Pa (8.77E-006 mm Hg)
Log Koa (Koawin est ): 10.695
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 0.00257
Octanol/air (Koa) model: 0.0122
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 0.0848
Mackay model : 0.17
Octanol/air (Koa) model: 0.493
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 292.1330 E-12 cm3/molecule-sec
Half-Life = 0.037 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 26.362 Min
Ozone Reaction:
OVERALL Ozone Rate Constant = 7.393750 E-17 cm3/molecule-sec
Half-Life = 0.155 Days (at 7E11 mol/cm3)
Half-Life = 3.720 Hrs
Fraction sorbed to airborne particulates (phi):
0.128 (Junge-Pankow, Mackay avg)
0.493 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 5.884E+005 L/kg (MCI method)
Log Koc: 5.770 (MCI method)
Koc : 4340 L/kg (Kow method)
Log Koc: 3.637 (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 = 3.058 (BCF = 1142 L/kg wet-wt)
Log Biotransformation Half-life (HL) = 0.7419 days (HL = 5.52 days)
Log BCF Arnot-Gobas method (upper trophic) = 3.270 (BCF = 1861)
Log BAF Arnot-Gobas method (upper trophic) = 3.344 (BAF = 2210)
log Kow used: 5.14 (estimated)
Volatilization from Water:
Henry LC: 6.82E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.621E+004 hours (675.6 days)
Half-Life from Model Lake : 1.77E+005 hours (7376 days)
Removal In Wastewater Treatment:
Total removal: 81.68 percent
Total biodegradation: 0.70 percent
Total sludge adsorption: 80.97 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.00345 0.711 1000
Water 1.32 4.32e+003 1000
Soil 45.4 8.64e+003 1000
Sediment 53.3 3.89e+004 0
Persistence Time: 9.44e+003 hr