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CAS Number: 110-18-9

SMILES : N(CCN(C)C)(C)C

CHEM : 1,2-Ethanediamine, N,N,N ,N -tetramethyl-

MOL FOR: C6 H16 N2

MOL WT : 116.21

------------------------------ 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) = -0.26

Log Kow (Exper. database match) = 0.30

Exper. Ref: HANSCH,C ET AL. (1995)

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 118.57 (Adapted Stein & Brown method)

Melting Pt (deg C): -47.64 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 15 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2E+003 (Mean VP of Antoine & Grain methods)

MP (exp database): -55 deg C

BP (exp database): 121 deg C

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 5.848e+005

log Kow used: 0.30 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Aliphatic Amines

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.40E-008 atm-m3/mole (2.44E-003 Pa-m3/mole)

Group Method: 5.60E-008 atm-m3/mole (5.68E-003 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: 3.922E-006 atm-m3/mole (3.974E-001 Pa-m3/mole)

VP: 15 mm Hg (source: MPBPVP)

WS: 5.85E+005 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 0.30 (exp database)

Log Kaw used: -6.008 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.308

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2817

Biowin2 (Non-Linear Model) : 0.0436

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4328 (weeks-months)

Biowin4 (Primary Survey Model) : 3.1041 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2972

Biowin6 (MITI Non-Linear Model): 0.1720

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.5799

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): 1.87E+003 Pa (14 mm Hg)

Log Koa (Koawin est ): 6.308

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 1.61E-009

Octanol/air (Koa) model: 4.99E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.8E-008

Mackay model : 1.29E-007

Octanol/air (Koa) model: 3.99E-005

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 158.4273 E-12 cm3/molecule-sec

Half-Life = 0.068 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.810 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.33E-008 (Junge-Pankow, Mackay avg)

3.99E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 16.35 L/kg (MCI method)

Log Koc: 1.214 (MCI method)

Koc : 9.127 L/kg (Kow method)

Log Koc: 0.960 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.2799 days (HL = 0.005249 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.031 (BCF = 0.9311)

Log BAF Arnot-Gobas method (upper trophic) = -0.031 (BAF = 0.9311)

log Kow used: 0.30 (expkow database)

Volatilization from Water:

Henry LC: 5.6E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.127E+004 hours (469.7 days)

Half-Life from Model Lake : 1.231E+005 hours (5127 days)

Removal In Wastewater Treatment:

Total removal: 1.86 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 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 0.0969 1.62 1000

Water 38 900 1000

Soil 61.8 1.8e+003 1000

Sediment 0.102 8.1e+003 0

Persistence Time: 749 hr

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