The Good Scents Company Information Listings

This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet

CAS Number: 45267-19-4


CHEM : Tetradecanamide, N- 3-(dimethylamino)propyl -

MOL FOR: C19 H40 N2 O1

MOL WT : 312.54

------------------------------ 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) = 5.39

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

Boiling Pt (deg C): 430.33 (Adapted Stein & Brown method)

Melting Pt (deg C): 165.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 5.39E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 7.18E-006 (Modified Grain method)

Subcooled liquid VP: 1.51E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.000201 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 0.2609

log Kow used: 5.39 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.8232 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Aliphatic Amines


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

Bond Method : 6.43E-010 atm-m3/mole (6.52E-005 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: 8.496E-008 atm-m3/mole (8.608E-003 Pa-m3/mole)

VP: 5.39E-008 mm Hg (source: MPBPVP)

WS: 0.261 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.39 (KowWin est)

Log Kaw used: -7.580 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.970

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7121

Biowin2 (Non-Linear Model) : 0.7074

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4978 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5833 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5666

Biowin6 (MITI Non-Linear Model): 0.5125

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.9732

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): 0.000201 Pa (1.51E-006 mm Hg)

Log Koa (Koawin est ): 12.970

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

Mackay model : 0.0149

Octanol/air (Koa) model: 2.29

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.35

Mackay model : 0.544

Octanol/air (Koa) model: 0.995

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 110.2124 E-12 cm3/molecule-sec

Half-Life = 0.097 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.165 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.447 (Junge-Pankow, Mackay avg)

0.995 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.907E+004 L/kg (MCI method)

Log Koc: 4.280 (MCI method)

Koc : 6539 L/kg (Kow method)

Log Koc: 3.816 (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 = 1.846 (BCF = 70.13 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9293 days (HL = 0.1177 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.686 (BCF = 48.58)

Log BAF Arnot-Gobas method (upper trophic) = 1.687 (BAF = 48.59)

log Kow used: 5.39 (estimated)

Volatilization from Water:

Henry LC: 6.43E-010 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.61E+006 hours (6.707E+004 days)

Half-Life from Model Lake : 1.756E+007 hours (7.317E+005 days)

Removal In Wastewater Treatment:

Total removal: 86.73 percent

Total biodegradation: 0.74 percent

Total sludge adsorption: 85.99 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 0.00661 2.33 1000

Water 9.88 900 1000

Soil 79.4 1.8e+003 1000

Sediment 10.7 8.1e+003 0

Persistence Time: 1.95e+003 hr

Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) Disclaimer Privacy Policy