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CAS Num: 000102-69-2

SMILES : N(CCC)(CCC)CCC

CHEM : 1-Propanamine, N,N-dipropyl-

MOL FOR: C9 H21 N1

MOL WT : 143.27

------------------------------ 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) = 2.99

Log Kow (Exper. database match) = 2.79

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

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

Boiling Pt (deg C): 164.00 (Adapted Stein & Brown method)

Melting Pt (deg C): -33.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.03 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 404 (Mean VP of Antoine & Grain methods)

MP (exp database): -93.5 deg C

BP (exp database): 156 deg C

VP (exp database): 1.51E+00 mm Hg (2.01E+002 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 3423

log Kow used: 2.79 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 748 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1526.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines

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

Bond Method : 2.00E-004 atm-m3/mole (2.03E+001 Pa-m3/mole)

Group Method: 6.29E-004 atm-m3/mole (6.37E+001 Pa-m3/mole)

Exper Database: 3.81E-04 atm-m3/mole (3.86E+001 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: 1.669E-004 atm-m3/mole (1.691E+001 Pa-m3/mole)

VP: 3.03 mm Hg (source: MPBPVP)

WS: 3.42E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.79 (exp database)

Log Kaw used: -1.808 (exp database)

Log Koa (KOAWIN v1.10 estimate): 4.598

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4741

Biowin2 (Non-Linear Model) : 0.2229

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6278 (weeks-months)

Biowin4 (Primary Survey Model) : 3.3530 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4988

Biowin6 (MITI Non-Linear Model): 0.5461

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3215

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): 201 Pa (1.51 mm Hg)

Log Koa (Koawin est ): 4.598

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

Mackay model : 1.49E-008

Octanol/air (Koa) model: 9.73E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.38E-007

Mackay model : 1.19E-006

Octanol/air (Koa) model: 7.78E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 102.0004 E-12 cm3/molecule-sec

Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.258 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

8.65E-007 (Junge-Pankow, Mackay avg)

7.78E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 307.5 L/kg (MCI method)

Log Koc: 2.488 (MCI method)

Koc : 252.9 L/kg (Kow method)

Log Koc: 2.403 (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 = 1.508 (BCF = 32.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9495 days (HL = 0.1123 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.420 (BCF = 26.29)

Log BAF Arnot-Gobas method (upper trophic) = 1.420 (BAF = 26.29)

log Kow used: 2.79 (expkow database)

Volatilization from Water:

Henry LC: 0.000381 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 3.061 hours

Half-Life from Model Lake : 133.8 hours (5.573 days)

Removal In Wastewater Treatment:

Total removal: 18.21 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.77 percent

Total to Air: 14.34 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.331 2.52 1000

Water 16.6 900 1000

Soil 82.8 1.8e+003 1000

Sediment 0.287 8.1e+003 0

Persistence Time: 643 hr

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