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CAS Num: 000075-04-7

SMILES : NCC

CHEM : Ethanamine

MOL FOR: C2 H7 N1

MOL WT : 45.08

------------------------------ 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) = -0.15

Log Kow (Exper. database match) = -0.13

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

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

Boiling Pt (deg C): 36.90 (Adapted Stein & Brown method)

Melting Pt (deg C): -84.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 153 (Modified Grain method)

VP (Pa, 25 deg C) : 2.04E+004 (Modified Grain method)

MP (exp database): 109.5 deg C

BP (exp database): 16.6 deg C

VP (exp database): 1.05E+03 mm Hg (1.40E+005 Pa) at 25 deg C

Subcooled liquid VP: 7.19E+003 mm Hg (25 deg C, exp database VP )

: 9.59E+005 Pa (25 deg C, exp database VP )

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 1e+006

log Kow used: -0.13 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 1e+006 mg/L (25 deg C)

Exper. Ref: MERCK INDEX (1996)

Water Sol Estimate from Fragments:

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

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 1.01E-005 atm-m3/mole (1.02E+000 Pa-m3/mole)

Group Method: 8.68E-006 atm-m3/mole (8.79E-001 Pa-m3/mole)

Exper Database: 1.23E-05 atm-m3/mole (1.25E+000 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: 9.075E-006 atm-m3/mole (9.196E-001 Pa-m3/mole)

VP: 153 mm Hg (source: MPBPVP)

WS: 1E+006 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.13 (exp database)

Log Kaw used: -3.299 (exp database)

Log Koa (KOAWIN v1.10 estimate): 3.169

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8799

Biowin2 (Non-Linear Model) : 0.9701

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1240 (weeks )

Biowin4 (Primary Survey Model) : 3.8260 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6611

Biowin6 (MITI Non-Linear Model): 0.8004

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9598

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): 9.59E+005 Pa (7.19E+003 mm Hg)

Log Koa (Koawin est ): 3.169

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

Mackay model : 3.13E-012

Octanol/air (Koa) model: 3.62E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.13E-010

Mackay model : 2.5E-010

Octanol/air (Koa) model: 2.9E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 29.8535 E-12 cm3/molecule-sec

Half-Life = 0.358 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.299 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.82E-010 (Junge-Pankow, Mackay avg)

2.9E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 13.31 L/kg (MCI method)

Log Koc: 1.124 (MCI method)

Koc : 6.783 L/kg (Kow method)

Log Koc: 0.831 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0166 days (HL = 0.09625 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.020 (BCF = 0.9559)

Log BAF Arnot-Gobas method (upper trophic) = -0.020 (BAF = 0.9559)

log Kow used: -0.13 (expkow database)

Volatilization from Water:

Henry LC: 1.23E-005 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 32.64 hours (1.36 days)

Half-Life from Model Lake : 412.4 hours (17.18 days)

Removal In Wastewater Treatment:

Total removal: 2.52 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 percent

Total to Air: 0.68 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.24 9.26 1000

Water 38.3 360 1000

Soil 60.3 720 1000

Sediment 0.0917 3.24e+003 0

Persistence Time: 363 hr

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